3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide

C15H14N4O — CID 115160757

IUPAC3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(N)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H14N4O/c1-19(15(20)10-3-2-4-11(16)7-10)12-5-6-13-14(8-12)18-9-17-13/h2-9H,16H2,1H3,(H,17,18)
InChIKeyVGCYEZXZWQTQHC-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.42
Rot. Bonds2

About 3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide

3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide (PubChem CID 115160757) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide
PubChem CID115160757
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(N)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H14N4O/c1-19(15(20)10-3-2-4-11(16)7-10)12-5-6-13-14(8-12)18-9-17-13/h2-9H,16H2,1H3,(H,17,18)
InChIKeyVGCYEZXZWQTQHC-UHFFFAOYSA-N
XLogP2.42
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162
2-[3H-benzimidazol-5-yl(methyl)amino]-2-oxoacetic acid
CID 115141264
N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide
CID 115158786
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide
CID 110869221
N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide
CID 110869220
N-(3-aminophenyl)-3-bromo-N-methylbenzamide
CID 61296754
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 110752301
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 110743759
N-(3H-benzimidazol-5-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159458
2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126028

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide?
The IUPAC name of 3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide (CID 115160757) is 3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide is CN(C(=O)c1cccc(N)c1)c1ccc2nc[nH]c2c1.
What is the InChIKey of 3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide?
The InChIKey is VGCYEZXZWQTQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(15(20)10-3-2-4-11(16)7-10)12-5-6-13-14(8-12)18-9-17-13/h2-9H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide?
3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3H-benzimidazol-5-yl)-N-methylbenzamide is sourced from PubChem (CID 115160757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).