3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide

C26H33N3O — CID 46103152

IUPAC3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide
SMILESCCCCc1ccc(-c2ccc(-n3cncc3C(=O)NCCC(C)(C)C)cc2)cc1
InChIInChI=1S/C26H33N3O/c1-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)29-19-27-18-24(29)25(30)28-17-16-26(2,3)4/h8-15,18-19H,5-7,16-17H2,1-4H3,(H,28,30)
InChIKeyMVYHJAPFWOGRAR-UHFFFAOYSA-N
MW403.57 g/mol
LogP6.05
Rot. Bonds8

About 3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide

3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide (PubChem CID 46103152) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide
PubChem CID46103152
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide
SMILESCCCCc1ccc(-c2ccc(-n3cncc3C(=O)NCCC(C)(C)C)cc2)cc1
InChIInChI=1S/C26H33N3O/c1-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)29-19-27-18-24(29)25(30)28-17-16-26(2,3)4/h8-15,18-19H,5-7,16-17H2,1-4H3,(H,28,30)
InChIKeyMVYHJAPFWOGRAR-UHFFFAOYSA-N
XLogP6.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-butylphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 24720807
3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide
CID 46102042
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide
CID 92818884
N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide
CID 21361632
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
CID 92767435
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(4-chlorophenyl)methyl]imidazole-4-carboxamide
CID 46103141
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 78820322
7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46103182
1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one
CID 161360346
(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
CID 104941487

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide?
The IUPAC name of 3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide (CID 46103152) is 3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide.
What is the SMILES notation for 3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide?
The canonical SMILES for 3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide is CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NCCC(C)(C)C)cc2)cc1.
What is the InChIKey of 3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide?
The InChIKey is MVYHJAPFWOGRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)29-19-27-18-24(29)25(30)28-17-16-26(2,3)4/h8-15,18-19H,5-7,16-17H2,1-4H3,(H,28,30).
What are the key properties of 3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide?
3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 6.05, 8 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-(3,3-dimethylbutyl)imidazole-4-carboxamide is sourced from PubChem (CID 46103152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).