4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide

C23H27N3O — CID 141076541

IUPAC4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CCCC(N)=O
InChIInChI=1S/C23H27N3O/c1-2-3-17-26-20(15-10-16-21(24)27)22(18-11-6-4-7-12-18)25-23(26)19-13-8-5-9-14-19/h4-9,11-14H,2-3,10,15-17H2,1H3,(H2,24,27)
InChIKeyWRBPLIFCXSRIIR-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.83
Rot. Bonds9

About 4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide

4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide (PubChem CID 141076541) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide.

Molecular Properties

Compound Name4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide
PubChem CID141076541
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CCCC(N)=O
InChIInChI=1S/C23H27N3O/c1-2-3-17-26-20(15-10-16-21(24)27)22(18-11-6-4-7-12-18)25-23(26)19-13-8-5-9-14-19/h4-9,11-14H,2-3,10,15-17H2,1H3,(H2,24,27)
InChIKeyWRBPLIFCXSRIIR-UHFFFAOYSA-N
XLogP4.83
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide
CID 10196408
dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole
CID 70277555
(5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol
CID 18437785
4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methylamino]methyl]benzene-1,2-diol
CID 18437923
[2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol
CID 69326594
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]butan-1-amine
CID 69326948
1-butyl-4,5-dimethyl-2-phenylimidazole
CID 122623668
methyl 1-butyl-5-[(dimethylamino)methyl]-2-phenylimidazole-4-carboxylate
CID 58817975
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]-1-phenylmethanamine
CID 69325586
7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid
CID 22916430
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 69326108
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]butan-1-amine
CID 69325596

Frequently Asked Questions

What is the IUPAC name of 4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide?
The IUPAC name of 4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide (CID 141076541) is 4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide.
What is the SMILES notation for 4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide?
The canonical SMILES for 4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CCCC(N)=O.
What is the InChIKey of 4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide?
The InChIKey is WRBPLIFCXSRIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-2-3-17-26-20(15-10-16-21(24)27)22(18-11-6-4-7-12-18)25-23(26)19-13-8-5-9-14-19/h4-9,11-14H,2-3,10,15-17H2,1H3,(H2,24,27).
What are the key properties of 4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide?
4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide has a molecular weight of 361.49 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide is sourced from PubChem (CID 141076541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).