3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide

C24H18ClF2N3O2 — CID 46102849

IUPAC3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1cccc(-n2cncc2C(=O)NCc2c(F)cccc2F)c1
InChIInChI=1S/C24H18ClF2N3O2/c1-32-23-9-8-16(25)11-18(23)15-4-2-5-17(10-15)30-14-28-13-22(30)24(31)29-12-19-20(26)6-3-7-21(19)27/h2-11,13-14H,12H2,1H3,(H,29,31)
InChIKeyMFBXAZMMIZQULD-UHFFFAOYSA-N
MW453.88 g/mol
LogP5.41
Rot. Bonds6

About 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide

3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide (PubChem CID 46102849) has the molecular formula C24H18ClF2N3O2 and a molecular weight of 453.88 g/mol. Its IUPAC name is 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
PubChem CID46102849
Molecular FormulaC24H18ClF2N3O2
Molecular Weight453.88 g/mol
Exact Mass453.11
IUPAC Name3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1cccc(-n2cncc2C(=O)NCc2c(F)cccc2F)c1
InChIInChI=1S/C24H18ClF2N3O2/c1-32-23-9-8-16(25)11-18(23)15-4-2-5-17(10-15)30-14-28-13-22(30)24(31)29-12-19-20(26)6-3-7-21(19)27/h2-11,13-14H,12H2,1H3,(H,29,31)
InChIKeyMFBXAZMMIZQULD-UHFFFAOYSA-N
XLogP5.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.88
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46102860
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92771117
N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46103186
N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 46102829
3-[4-(4-butylphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 24720807
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide
CID 46101308
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-[3-[(2S)-2-ethylhexoxy]propyl]imidazole-4-carboxamide
CID 92771062
N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 31957371
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
CID 134800977
3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46102836
N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081597
N-[(2,6-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662908

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide (CID 46102849) is 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide is COc1ccc(Cl)cc1-c1cccc(-n2cncc2C(=O)NCc2c(F)cccc2F)c1.
What is the InChIKey of 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
The InChIKey is MFBXAZMMIZQULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2N3O2/c1-32-23-9-8-16(25)11-18(23)15-4-2-5-17(10-15)30-14-28-13-22(30)24(31)29-12-19-20(26)6-3-7-21(19)27/h2-11,13-14H,12H2,1H3,(H,29,31).
What are the key properties of 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide has a molecular weight of 453.88 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 46102849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).