N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

C23H22ClFN4O2 — CID 55906781

IUPACN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)c2cncn2-c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C23H22ClFN4O2/c24-20-11-8-17(12-19(20)22(30)27-16-4-2-1-3-5-16)28-23(31)21-13-26-14-29(21)18-9-6-15(25)7-10-18/h6-14,16H,1-5H2,(H,27,30)(H,28,31)
InChIKeyRACQPIBESLRVCG-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.98
Rot. Bonds5

About N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 55906781) has the molecular formula C23H22ClFN4O2 and a molecular weight of 440.91 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID55906781
Molecular FormulaC23H22ClFN4O2
Molecular Weight440.91 g/mol
Exact Mass440.14
IUPAC NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)c2cncn2-c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C23H22ClFN4O2/c24-20-11-8-17(12-19(20)22(30)27-16-4-2-1-3-5-16)28-23(31)21-13-26-14-29(21)18-9-6-15(25)7-10-18/h6-14,16H,1-5H2,(H,27,30)(H,28,31)
InChIKeyRACQPIBESLRVCG-UHFFFAOYSA-N
XLogP4.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide
CID 99816563
3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide
CID 17461227
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 60540482
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55906395
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17188463
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 87026429
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 71890363
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
N-cyclohexyl-1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119458

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (CID 55906781) is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is O=C(NC1CCCCC1)c1cc(NC(=O)c2cncn2-c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is RACQPIBESLRVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O2/c24-20-11-8-17(12-19(20)22(30)27-16-4-2-1-3-5-16)28-23(31)21-13-26-14-29(21)18-9-6-15(25)7-10-18/h6-14,16H,1-5H2,(H,27,30)(H,28,31).
What are the key properties of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 440.91 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 55906781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).