COC(=O)C1=CC2=C(C=C1)N=C(N2)N
CAS: 106429-38-3
Name: methyl 2-amino-3H-benzimidazole-5-carboxylate
SMILES: COC(=O)C1=CC2=C(C=C1)N=C(N2)N

Molecular Processing

Molecular formula
C9H9N3O2
Molecular weight
191.19
Exact mass
191.0695
XLogP
0.93
TPSA
81
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
51.85

Supplementary Information

InChIKey: WHVPFOLJDWVLSZ-UHFFFAOYSA-N
Synonyms
106429-38-3methyl 2-amino-1H-1,3-benzodiazole-5-carboxylateMethyl 2-amino-1H-benzimidazole-6-carboxylateDTXSID60591181RefChem:813811DTXCID20541945976-288-5Methyl 2-amino-1H-benzo[d]imidazole-5-carboxylateMethyl 2-amino-1H-benzimidazole-5-carboxylatemethyl 2-amino-3H-benzimidazole-5-carboxylate1H-Benzimidazole-6-carboxylicacid, 2-amino-, methyl esterMFCD08752985methyl 2-amino-3H-benzo[d]imidazole-5-carboxylateMethyl 2-aminobenzimidazole-5-carboxylate1H-Benzimidazole-5-carboxylicacid,2-amino-,methylester(9CI)1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2-AMINO-, METHYL ESTERSCHEMBL1202574SCHEMBL46820762-amino-1H-benzoimidazole-5-carboxylic acid methyl esterWHVPFOLJDWVLSZ-UHFFFAOYSA-NAKOS006291052AB49030CS-W019500FS-3255BP-20121SY016581DB-059474EN300-3491116F079752methyl 2-amino-1H-1,3-benzodiazole-6-carboxylate
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Involved in 3 reactions→

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