2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide

C27H27N3O — CID 143076239

IUPAC2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27N3O/c1-2-3-19-23(20-13-7-4-8-14-20)28-27(31)25-24(21-15-9-5-10-16-21)29-26(30-25)22-17-11-6-12-18-22/h4-18,23H,2-3,19H2,1H3,(H,28,31)(H,29,30)
InChIKeyMSRNYXMVNXAVAT-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.41
Rot. Bonds8

About 2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide

2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide (PubChem CID 143076239) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide
PubChem CID143076239
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27N3O/c1-2-3-19-23(20-13-7-4-8-14-20)28-27(31)25-24(21-15-9-5-10-16-21)29-26(30-25)22-17-11-6-12-18-22/h4-18,23H,2-3,19H2,1H3,(H,28,31)(H,29,30)
InChIKeyMSRNYXMVNXAVAT-UHFFFAOYSA-N
XLogP6.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
1-phenylhexylcarbamic acid
CID 21477897
1-phenyloctylcarbamic acid
CID 90271204
1-phenylnonylcarbamic acid
CID 67252081
6-oxo-N-[(1R)-1-phenylhexyl]-1H-pyridazine-3-carboxamide
CID 95153673
3-fluoro-N-(1-phenylpentyl)benzamide
CID 2941019
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
N-pentyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 51361117
ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
[(4S)-4-[(2-benzhydryl-4-phenyl-1H-imidazole-5-carbonyl)amino]-4-carboxybutyl]-(diaminomethylidene)azanium
CID 140656423
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide (CID 143076239) is 2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide is CCCCC(NC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide?
The InChIKey is MSRNYXMVNXAVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-2-3-19-23(20-13-7-4-8-14-20)28-27(31)25-24(21-15-9-5-10-16-21)29-26(30-25)22-17-11-6-12-18-22/h4-18,23H,2-3,19H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide?
2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-N-(1-phenylpentyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 143076239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).