3-amino-N-(1-methylbenzimidazol-2-yl)benzamide

C15H14N4O — CID 110474422

IUPAC3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCn1c(NC(=O)c2cccc(N)c2)nc2ccccc21
InChIInChI=1S/C15H14N4O/c1-19-13-8-3-2-7-12(13)17-15(19)18-14(20)10-5-4-6-11(16)9-10/h2-9H,16H2,1H3,(H,17,18,20)
InChIKeyLXEADEDYNKUXBN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.41
Rot. Bonds2

About 3-amino-N-(1-methylbenzimidazol-2-yl)benzamide

3-amino-N-(1-methylbenzimidazol-2-yl)benzamide (PubChem CID 110474422) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-N-(1-methylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
PubChem CID110474422
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCn1c(NC(=O)c2cccc(N)c2)nc2ccccc21
InChIInChI=1S/C15H14N4O/c1-19-13-8-3-2-7-12(13)17-15(19)18-14(20)10-5-4-6-11(16)9-10/h2-9H,16H2,1H3,(H,17,18,20)
InChIKeyLXEADEDYNKUXBN-UHFFFAOYSA-N
XLogP2.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
methyl 3-[2-[(3-aminobenzoyl)amino]benzimidazol-1-yl]propanoate
CID 68792716
3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
CID 35280472
3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride
CID 119770789
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
N-(1,6-dimethylbenzimidazol-2-yl)benzamide
CID 12035464
N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide
CID 72725713
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
4-chloro-N-(1-methylbenzimidazol-2-yl)-3-nitrobenzamide
CID 5175893
2,5-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19481245
1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
CID 110471540

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methylbenzimidazol-2-yl)benzamide?
The IUPAC name of 3-amino-N-(1-methylbenzimidazol-2-yl)benzamide (CID 110474422) is 3-amino-N-(1-methylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-N-(1-methylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 3-amino-N-(1-methylbenzimidazol-2-yl)benzamide is Cn1c(NC(=O)c2cccc(N)c2)nc2ccccc21.
What is the InChIKey of 3-amino-N-(1-methylbenzimidazol-2-yl)benzamide?
The InChIKey is LXEADEDYNKUXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19-13-8-3-2-7-12(13)17-15(19)18-14(20)10-5-4-6-11(16)9-10/h2-9H,16H2,1H3,(H,17,18,20).
What are the key properties of 3-amino-N-(1-methylbenzimidazol-2-yl)benzamide?
3-amino-N-(1-methylbenzimidazol-2-yl)benzamide has a molecular weight of 266.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 110474422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).