4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide

C36H38N4O — CID 10196408

IUPAC4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CCN(Cc1ccccc1)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C36H38N4O/c1-2-3-24-40-33(34(30-15-9-5-10-16-30)38-36(40)32-17-11-6-12-18-32)23-25-39(26-28-13-7-4-8-14-28)27-29-19-21-31(22-20-29)35(37)41/h4-22H,2-3,23-27H2,1H3,(H2,37,41)
InChIKeyAXEPWOWUCUJRQX-UHFFFAOYSA-N
MW542.73 g/mol
LogP7.36
Rot. Bonds13

About 4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide

4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide (PubChem CID 10196408) has the molecular formula C36H38N4O and a molecular weight of 542.73 g/mol. Its IUPAC name is 4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide
PubChem CID10196408
Molecular FormulaC36H38N4O
Molecular Weight542.73 g/mol
Exact Mass542.30
IUPAC Name4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CCN(Cc1ccccc1)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C36H38N4O/c1-2-3-24-40-33(34(30-15-9-5-10-16-30)38-36(40)32-17-11-6-12-18-32)23-25-39(26-28-13-7-4-8-14-28)27-29-19-21-31(22-20-29)35(37)41/h4-22H,2-3,23-27H2,1H3,(H2,37,41)
InChIKeyAXEPWOWUCUJRQX-UHFFFAOYSA-N
XLogP7.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.73
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide
CID 142815302
4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide
CID 141076541
1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 18437757
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 18438337
N-[(4-butoxyphenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]butan-1-amine
CID 69325654
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(methylsulfanylmethoxy)phenyl]methyl]butan-1-amine
CID 69325515
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 69326108
methyl 3-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]-5-methoxybenzoate
CID 91254611
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-chlorophenyl)methyl]butan-1-amine
CID 69325801
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine
CID 69327348
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine
CID 18438536
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-phenoxyphenyl)methyl]propan-1-amine
CID 69325850

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide?
The IUPAC name of 4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide (CID 10196408) is 4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CCN(Cc1ccccc1)Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide?
The InChIKey is AXEPWOWUCUJRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N4O/c1-2-3-24-40-33(34(30-15-9-5-10-16-30)38-36(40)32-17-11-6-12-18-32)23-25-39(26-28-13-7-4-8-14-28)27-29-19-21-31(22-20-29)35(37)41/h4-22H,2-3,23-27H2,1H3,(H2,37,41).
What are the key properties of 4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide?
4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide has a molecular weight of 542.73 g/mol, XLogP of 7.36, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 10196408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).