N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide

C16H16N4O — CID 43600970

IUPACN-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESCNCc1ccccc1NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H16N4O/c1-17-9-12-4-2-3-5-13(12)20-16(21)11-6-7-14-15(8-11)19-10-18-14/h2-8,10,17H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyBDYKHEUTEQGQHO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.53
Rot. Bonds4

About N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide

N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 43600970) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID43600970
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESCNCc1ccccc1NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H16N4O/c1-17-9-12-4-2-3-5-13(12)20-16(21)11-6-7-14-15(8-11)19-10-18-14/h2-8,10,17H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyBDYKHEUTEQGQHO-UHFFFAOYSA-N
XLogP2.53
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide 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

3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909
3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542
3-hydroxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600945
N-[[2-(aminomethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 62949714
4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid
CID 24702726
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 43397751
N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide
CID 61261029
5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408290
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 43600970) is N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide is CNCc1ccccc1NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is BDYKHEUTEQGQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-17-9-12-4-2-3-5-13(12)20-16(21)11-6-7-14-15(8-11)19-10-18-14/h2-8,10,17H,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide?
N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 43600970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).