3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide

C25H31N3O — CID 92767435

IUPAC3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
SMILESCCCCC[C@@H](C)NC(=O)c1cncn1-c1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C25H31N3O/c1-5-6-7-8-20(4)27-25(29)24-16-26-17-28(24)23-11-9-21(10-12-23)22-14-18(2)13-19(3)15-22/h9-17,20H,5-8H2,1-4H3,(H,27,29)/t20-/m1/s1
InChIKeyRAXLILSQUKGDOF-HXUWFJFHSA-N
MW389.54 g/mol
LogP5.85
Rot. Bonds8

About 3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide

3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide (PubChem CID 92767435) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
PubChem CID92767435
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
SMILESCCCCC[C@@H](C)NC(=O)c1cncn1-c1ccc(-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C25H31N3O/c1-5-6-7-8-20(4)27-25(29)24-16-26-17-28(24)23-11-9-21(10-12-23)22-14-18(2)13-19(3)15-22/h9-17,20H,5-8H2,1-4H3,(H,27,29)/t20-/m1/s1
InChIKeyRAXLILSQUKGDOF-HXUWFJFHSA-N
XLogP5.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide
CID 46102042
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2S)-1-methoxybutan-2-yl]imidazole-4-carboxamide
CID 92767327
3-[4-(3,5-dimethylphenyl)phenyl]-N-(2-fluoroethyl)imidazole-4-carboxamide
CID 46081295
N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081560
N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762305
N-[(2R)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762304
3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46103182
3-(3-dibenzothiophen-4-ylphenyl)-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
CID 92822182
3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46101317
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide
CID 92818884
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide
CID 98328604

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide (CID 92767435) is 3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide is CCCCC[C@@H](C)NC(=O)c1cncn1-c1ccc(-c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide?
The InChIKey is RAXLILSQUKGDOF-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H31N3O/c1-5-6-7-8-20(4)27-25(29)24-16-26-17-28(24)23-11-9-21(10-12-23)22-14-18(2)13-19(3)15-22/h9-17,20H,5-8H2,1-4H3,(H,27,29)/t20-/m1/s1.
What are the key properties of 3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide?
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 92767435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).