3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide

C27H35N3O — CID 46102042

IUPAC3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide
SMILESCCCCc1ccc(-c2ccc(-n3cncc3C(=O)NC(C)CCC(C)C)cc2)cc1
InChIInChI=1S/C27H35N3O/c1-5-6-7-22-10-12-23(13-11-22)24-14-16-25(17-15-24)30-19-28-18-26(30)27(31)29-21(4)9-8-20(2)3/h10-21H,5-9H2,1-4H3,(H,29,31)
InChIKeyMUJDDURVRCGVAG-UHFFFAOYSA-N
MW417.60 g/mol
LogP6.44
Rot. Bonds10

About 3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide

3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide (PubChem CID 46102042) has the molecular formula C27H35N3O and a molecular weight of 417.60 g/mol. Its IUPAC name is 3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide
PubChem CID46102042
Molecular FormulaC27H35N3O
Molecular Weight417.60 g/mol
Exact Mass417.28
IUPAC Name3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide
SMILESCCCCc1ccc(-c2ccc(-n3cncc3C(=O)NC(C)CCC(C)C)cc2)cc1
InChIInChI=1S/C27H35N3O/c1-5-6-7-22-10-12-23(13-11-22)24-14-16-25(17-15-24)30-19-28-18-26(30)27(31)29-21(4)9-8-20(2)3/h10-21H,5-9H2,1-4H3,(H,29,31)
InChIKeyMUJDDURVRCGVAG-UHFFFAOYSA-N
XLogP6.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide
CID 92818884
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
CID 92767435
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
3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide
CID 46103152
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
3-[4-(4-butylphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 24720807
3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46101317
3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46103182
N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 46102853
(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
CID 104941487
3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide
CID 51080935

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide (CID 46102042) is 3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide is CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NC(C)CCC(C)C)cc2)cc1.
What is the InChIKey of 3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide?
The InChIKey is MUJDDURVRCGVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O/c1-5-6-7-22-10-12-23(13-11-22)24-14-16-25(17-15-24)30-19-28-18-26(30)27(31)29-21(4)9-8-20(2)3/h10-21H,5-9H2,1-4H3,(H,29,31).
What are the key properties of 3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide?
3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide has a molecular weight of 417.60 g/mol, XLogP of 6.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 46102042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).