N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide

C20H19N5O — CID 110444793

IUPACN-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccccc1C(NC(=O)c1ccc2nc[nH]c2c1)c1nccn1C
InChIInChI=1S/C20H19N5O/c1-13-5-3-4-6-15(13)18(19-21-9-10-25(19)2)24-20(26)14-7-8-16-17(11-14)23-12-22-16/h3-12,18H,1-2H3,(H,22,23)(H,24,26)
InChIKeyYOWCXEWKYNAMKY-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.12
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide

N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110444793) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID110444793
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccccc1C(NC(=O)c1ccc2nc[nH]c2c1)c1nccn1C
InChIInChI=1S/C20H19N5O/c1-13-5-3-4-6-15(13)18(19-21-9-10-25(19)2)24-20(26)14-7-8-16-17(11-14)23-12-22-16/h3-12,18H,1-2H3,(H,22,23)(H,24,26)
InChIKeyYOWCXEWKYNAMKY-UHFFFAOYSA-N
XLogP3.12
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444818
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 25388837
4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide
CID 110440273
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
CID 110444680
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 27885939
4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 17491274
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 110444793) is N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide is Cc1ccccc1C(NC(=O)c1ccc2nc[nH]c2c1)c1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is YOWCXEWKYNAMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-5-3-4-6-15(13)18(19-21-9-10-25(19)2)24-20(26)14-7-8-16-17(11-14)23-12-22-16/h3-12,18H,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110444793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).