N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide

C24H17ClF3N3O2 — CID 46102829

IUPACN-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C24H17ClF3N3O2/c25-19-9-7-16(8-10-19)13-30-23(32)22-14-29-15-31(22)20-5-1-3-17(11-20)18-4-2-6-21(12-18)33-24(26,27)28/h1-12,14-15H,13H2,(H,30,32)
InChIKeyNCKAZMKDAJRZJX-UHFFFAOYSA-N
MW471.87 g/mol
LogP6.02
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide

N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide (PubChem CID 46102829) has the molecular formula C24H17ClF3N3O2 and a molecular weight of 471.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
PubChem CID46102829
Molecular FormulaC24H17ClF3N3O2
Molecular Weight471.87 g/mol
Exact Mass471.10
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C24H17ClF3N3O2/c25-19-9-7-16(8-10-19)13-30-23(32)22-14-29-15-31(22)20-5-1-3-17(11-20)18-4-2-6-21(12-18)33-24(26,27)28/h1-12,14-15H,13H2,(H,30,32)
InChIKeyNCKAZMKDAJRZJX-UHFFFAOYSA-N
XLogP6.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.87
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 46102853
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(4-chlorophenyl)methyl]imidazole-4-carboxamide
CID 46103141
N-butyl-N-ethyl-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 46081319
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 46102849
N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081597
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46103105
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 18225179
1-methyl-3-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 70742885
N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 47007581
3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46102836
2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 69083738

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide (CID 46102829) is N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide?
The InChIKey is NCKAZMKDAJRZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N3O2/c25-19-9-7-16(8-10-19)13-30-23(32)22-14-29-15-31(22)20-5-1-3-17(11-20)18-4-2-6-21(12-18)33-24(26,27)28/h1-12,14-15H,13H2,(H,30,32).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide has a molecular weight of 471.87 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 46102829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).