4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide

C29H37F3N4O — CID 142815302

IUPAC4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide
SMILESCCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CCN(CCC(C)C)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C29H37F3N4O/c1-4-5-17-36-25(26(29(30,31)32)34-28(36)24-9-7-6-8-10-24)16-19-35(18-15-21(2)3)20-22-11-13-23(14-12-22)27(33)37/h6-14,21H,4-5,15-20H2,1-3H3,(H2,33,37)
InChIKeyBWBWSSZGZBROJC-UHFFFAOYSA-N
MW514.64 g/mol
LogP6.56
Rot. Bonds13

About 4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide

4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide (PubChem CID 142815302) has the molecular formula C29H37F3N4O and a molecular weight of 514.64 g/mol. Its IUPAC name is 4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide
PubChem CID142815302
Molecular FormulaC29H37F3N4O
Molecular Weight514.64 g/mol
Exact Mass514.29
IUPAC Name4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide
SMILESCCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CCN(CCC(C)C)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C29H37F3N4O/c1-4-5-17-36-25(26(29(30,31)32)34-28(36)24-9-7-6-8-10-24)16-19-35(18-15-21(2)3)20-22-11-13-23(14-12-22)27(33)37/h6-14,21H,4-5,15-20H2,1-3H3,(H2,33,37)
InChIKeyBWBWSSZGZBROJC-UHFFFAOYSA-N
XLogP6.56
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.64
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[benzyl-[2-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzamide
CID 10196408
N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine
CID 18438552
4-[[butyl-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]amino]methyl]-2-methoxybenzamide
CID 18438058
1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 18437757
4-[[butyl-[(1R)-1-(3-butyl-2,5-diphenylimidazol-4-yl)ethyl]amino]methyl]benzoic acid
CID 18438072
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 18438337
4-[[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]amino]methyl]benzoic acid
CID 87784647
4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide
CID 141076541
N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 142815143
methyl 3-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]-5-methoxybenzoate
CID 91254611
4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]methyl]benzenesulfonamide
CID 18437903
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-5-(1,1-difluoroethyl)-2-phenylimidazol-4-yl]methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 142815102

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide?
The IUPAC name of 4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide (CID 142815302) is 4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide is CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CCN(CCC(C)C)Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide?
The InChIKey is BWBWSSZGZBROJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37F3N4O/c1-4-5-17-36-25(26(29(30,31)32)34-28(36)24-9-7-6-8-10-24)16-19-35(18-15-21(2)3)20-22-11-13-23(14-12-22)27(33)37/h6-14,21H,4-5,15-20H2,1-3H3,(H2,33,37).
What are the key properties of 4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide?
4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide has a molecular weight of 514.64 g/mol, XLogP of 6.56, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide is sourced from PubChem (CID 142815302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).