N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide

C16H14N3O+ — CID 142236666

IUPACN-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc2c(c1)N=[C+]N2
InChIInChI=1S/C16H13N3O/c1-11-4-2-3-5-13(11)9-17-16(20)12-6-7-14-15(8-12)19-10-18-14/h2-8H,9H2,1H3,(H-,17,18,19,20)/p+1
InChIKeyUVVHHRQAURCMKS-UHFFFAOYSA-O
MW264.31 g/mol
LogP2.89
Rot. Bonds3

About N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide

N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide (PubChem CID 142236666) has the molecular formula C16H14N3O+ and a molecular weight of 264.31 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide
PubChem CID142236666
Molecular FormulaC16H14N3O+
Molecular Weight264.31 g/mol
Exact Mass264.11
IUPAC NameN-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc2c(c1)N=[C+]N2
InChIInChI=1S/C16H13N3O/c1-11-4-2-3-5-13(11)9-17-16(20)12-6-7-14-15(8-12)19-10-18-14/h2-8H,9H2,1H3,(H-,17,18,19,20)/p+1
InChIKeyUVVHHRQAURCMKS-UHFFFAOYSA-O
XLogP2.89
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-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

1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
CID 110387916
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 144948628
4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
3-N-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054238
3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054270
4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046836
3-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054257
N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 47233638

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide (CID 142236666) is N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide is Cc1ccccc1CNC(=O)c1ccc2c(c1)N=[C+]N2.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide?
The InChIKey is UVVHHRQAURCMKS-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13N3O/c1-11-4-2-3-5-13(11)9-17-16(20)12-6-7-14-15(8-12)19-10-18-14/h2-8H,9H2,1H3,(H-,17,18,19,20)/p+1.
What are the key properties of N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide?
N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1,2-dihydrobenzimidazol-2-ylium-5-carboxamide is sourced from PubChem (CID 142236666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).