2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide

C26H23N5O — CID 56512878

IUPAC2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nccn1Cc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1
InChIInChI=1S/C26H23N5O/c1-18-27-14-15-30(18)17-20-8-11-22(12-9-20)29-26(32)21-10-13-25-24(16-21)28-19(2)31(25)23-6-4-3-5-7-23/h3-16H,17H2,1-2H3,(H,29,32)
InChIKeyGXYPZDUXJMYCQN-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.14
Rot. Bonds5

About 2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide

2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide (PubChem CID 56512878) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide
PubChem CID56512878
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nccn1Cc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1
InChIInChI=1S/C26H23N5O/c1-18-27-14-15-30(18)17-20-8-11-22(12-9-20)29-26(32)21-10-13-25-24(16-21)28-19(2)31(25)23-6-4-3-5-7-23/h3-16H,17H2,1-2H3,(H,29,32)
InChIKeyGXYPZDUXJMYCQN-UHFFFAOYSA-N
XLogP5.14
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate
CID 60578647
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 55505787
N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide
CID 46263421
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94186960
N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 37067853
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitrobenzamide
CID 5011969
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide
CID 38465374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide (CID 56512878) is 2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide is Cc1nccn1Cc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is GXYPZDUXJMYCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-18-27-14-15-30(18)17-20-8-11-22(12-9-20)29-26(32)21-10-13-25-24(16-21)28-19(2)31(25)23-6-4-3-5-7-23/h3-16H,17H2,1-2H3,(H,29,32).
What are the key properties of 2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide?
2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 56512878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).