N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide

C24H26F3N3O — CID 46081560

IUPACN-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
SMILESCCCCCC(C)NC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C24H26F3N3O/c1-3-4-5-9-17(2)29-23(31)22-15-28-16-30(22)19-11-8-10-18(14-19)20-12-6-7-13-21(20)24(25,26)27/h6-8,10-17H,3-5,9H2,1-2H3,(H,29,31)
InChIKeyNDHKHTZALXZFLK-UHFFFAOYSA-N
MW429.49 g/mol
LogP6.26
Rot. Bonds8

About N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide

N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide (PubChem CID 46081560) has the molecular formula C24H26F3N3O and a molecular weight of 429.49 g/mol. Its IUPAC name is N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
PubChem CID46081560
Molecular FormulaC24H26F3N3O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC NameN-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
SMILESCCCCCC(C)NC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C24H26F3N3O/c1-3-4-5-9-17(2)29-23(31)22-15-28-16-30(22)19-11-8-10-18(14-19)20-12-6-7-13-21(20)24(25,26)27/h6-8,10-17H,3-5,9H2,1-2H3,(H,29,31)
InChIKeyNDHKHTZALXZFLK-UHFFFAOYSA-N
XLogP6.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.49
LogP ≤ 56.26
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

N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 92769989
3-(3-dibenzothiophen-4-ylphenyl)-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
CID 92822182
N-(1-methoxybutan-2-yl)-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081579
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
CID 92767435
N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081597
N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 46102853
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 92771028
3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46102836
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46102860
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
N-[(2R)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762304
N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762305

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide?
The IUPAC name of N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide (CID 46081560) is N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide is CCCCCC(C)NC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide?
The InChIKey is NDHKHTZALXZFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O/c1-3-4-5-9-17(2)29-23(31)22-15-28-16-30(22)19-11-8-10-18(14-19)20-12-6-7-13-21(20)24(25,26)27/h6-8,10-17H,3-5,9H2,1-2H3,(H,29,31).
What are the key properties of N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide?
N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 46081560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).