N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

C25H21FN4O2 — CID 166392338

IUPACN-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)c3nc(-c4ccccc4)[nH]c3C)c2)cc1F
InChIInChI=1S/C25H21FN4O2/c1-15-11-12-18(13-21(15)26)24(31)28-19-9-6-10-20(14-19)29-25(32)22-16(2)27-23(30-22)17-7-4-3-5-8-17/h3-14H,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyCNGAPIOPRVSBBX-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.34
Rot. Bonds5

About N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide (PubChem CID 166392338) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
PubChem CID166392338
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC NameN-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)c3nc(-c4ccccc4)[nH]c3C)c2)cc1F
InChIInChI=1S/C25H21FN4O2/c1-15-11-12-18(13-21(15)26)24(31)28-19-9-6-10-20(14-19)29-25(32)22-16(2)27-23(30-22)17-7-4-3-5-8-17/h3-14H,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyCNGAPIOPRVSBBX-UHFFFAOYSA-N
XLogP5.34
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 66898481
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide
CID 46578980
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46328395
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
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3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987
N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376760
3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 104820807
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
CID 134705328

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide (CID 166392338) is N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide is Cc1ccc(C(=O)Nc2cccc(NC(=O)c3nc(-c4ccccc4)[nH]c3C)c2)cc1F.
What is the InChIKey of N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide?
The InChIKey is CNGAPIOPRVSBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-15-11-12-18(13-21(15)26)24(31)28-19-9-6-10-20(14-19)29-25(32)22-16(2)27-23(30-22)17-7-4-3-5-8-17/h3-14H,1-2H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide?
N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 5.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 166392338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).