2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide

C26H29FN4O2 — CID 144991050

IUPAC2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide
SMILESCCCC(CC)NC(=O)c1nc(-c2ccc(C#N)c(F)c2)n(-c2ccc(OC)c(C)c2)c1C
InChIInChI=1S/C26H29FN4O2/c1-6-8-20(7-2)29-26(32)24-17(4)31(21-11-12-23(33-5)16(3)13-21)25(30-24)18-9-10-19(15-28)22(27)14-18/h9-14,20H,6-8H2,1-5H3,(H,29,32)
InChIKeyQMWMBQWUECUOTD-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.48
Rot. Bonds8

About 2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide

2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide (PubChem CID 144991050) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide
PubChem CID144991050
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide
SMILESCCCC(CC)NC(=O)c1nc(-c2ccc(C#N)c(F)c2)n(-c2ccc(OC)c(C)c2)c1C
InChIInChI=1S/C26H29FN4O2/c1-6-8-20(7-2)29-26(32)24-17(4)31(21-11-12-23(33-5)16(3)13-21)25(30-24)18-9-10-19(15-28)22(27)14-18/h9-14,20H,6-8H2,1-5H3,(H,29,32)
InChIKeyQMWMBQWUECUOTD-UHFFFAOYSA-N
XLogP5.48
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-5-methyl-N-[(3R)-pyrrolidin-3-yl]imidazole-4-carboxamide
CID 135326463
4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile
CID 166907905
4-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-chloro-1-(3-fluoro-4-methoxyphenyl)imidazol-2-yl]-2-fluorobenzonitrile
CID 138746211
2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid
CID 118626615
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456
4-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-5-chloro-1-(4-methoxyphenyl)imidazol-2-yl]-2-fluorobenzonitrile
CID 138745416
(3-fluoro-4-methoxyphenyl) 5-chloro-2-(4-cyano-3-fluorophenyl)-3-ethylimidazole-4-carboxylate
CID 118626677
2-fluoro-4-[1-(7-fluoro-2-methylindazol-5-yl)-5-methyl-4-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]imidazol-2-yl]benzonitrile
CID 135326419
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
4-[1-(2,3-dimethylindazol-5-yl)-5-methyl-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]imidazol-2-yl]-2-fluorobenzonitrile
CID 166907720
4-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)imidazol-2-yl]-2-fluorobenzonitrile
CID 138745371
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide?
The IUPAC name of 2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide (CID 144991050) is 2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide is CCCC(CC)NC(=O)c1nc(-c2ccc(C#N)c(F)c2)n(-c2ccc(OC)c(C)c2)c1C.
What is the InChIKey of 2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide?
The InChIKey is QMWMBQWUECUOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-6-8-20(7-2)29-26(32)24-17(4)31(21-11-12-23(33-5)16(3)13-21)25(30-24)18-9-10-19(15-28)22(27)14-18/h9-14,20H,6-8H2,1-5H3,(H,29,32).
What are the key properties of 2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide?
2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3-fluorophenyl)-N-hexan-3-yl-1-(4-methoxy-3-methylphenyl)-5-methylimidazole-4-carboxamide is sourced from PubChem (CID 144991050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).