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

C20H19N5O — CID 110444818

IUPACN-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(C(NC(=O)c2ccc3nc[nH]c3c2)c2nccn2C)c1
InChIInChI=1S/C20H19N5O/c1-13-4-3-5-14(10-13)18(19-21-8-9-25(19)2)24-20(26)15-6-7-16-17(11-15)23-12-22-16/h3-12,18H,1-2H3,(H,22,23)(H,24,26)
InChIKeyHKBCRQLOCKTETF-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.12
Rot. Bonds4

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

N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110444818) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID110444818
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(C(NC(=O)c2ccc3nc[nH]c3c2)c2nccn2C)c1
InChIInChI=1S/C20H19N5O/c1-13-4-3-5-14(10-13)18(19-21-8-9-25(19)2)24-20(26)15-6-7-16-17(11-15)23-12-22-16/h3-12,18H,1-2H3,(H,22,23)(H,24,26)
InChIKeyHKBCRQLOCKTETF-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-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 25388837
N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444793
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 110429573
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 40939581
N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 27885939
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
CID 40821023
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597988
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 31505088

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 110444818) is N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide is Cc1cccc(C(NC(=O)c2ccc3nc[nH]c3c2)c2nccn2C)c1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is HKBCRQLOCKTETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-4-3-5-14(10-13)18(19-21-8-9-25(19)2)24-20(26)15-6-7-16-17(11-15)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)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(1-methylimidazol-2-yl)-(3-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)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110444818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).