N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine

C35H39ClF3N3 — CID 18437620

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cc(C(F)(F)F)ccc1Cl)CC1CCCCC1
InChIInChI=1S/C35H39ClF3N3/c1-2-3-21-42-32(33(27-15-9-5-10-16-27)40-34(42)28-17-11-6-12-18-28)25-41(23-26-13-7-4-8-14-26)24-29-22-30(35(37,38)39)19-20-31(29)36/h5-6,9-12,15-20,22,26H,2-4,7-8,13-14,21,23-25H2,1H3
InChIKeyCGLFJUCNHCDOPF-UHFFFAOYSA-N
MW594.17 g/mol
LogP10.27
Rot. Bonds11

About N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine (PubChem CID 18437620) has the molecular formula C35H39ClF3N3 and a molecular weight of 594.17 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine
PubChem CID18437620
Molecular FormulaC35H39ClF3N3
Molecular Weight594.17 g/mol
Exact Mass593.28
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cc(C(F)(F)F)ccc1Cl)CC1CCCCC1
InChIInChI=1S/C35H39ClF3N3/c1-2-3-21-42-32(33(27-15-9-5-10-16-27)40-34(42)28-17-11-6-12-18-28)25-41(23-26-13-7-4-8-14-26)24-29-22-30(35(37,38)39)19-20-31(29)36/h5-6,9-12,15-20,22,26H,2-4,7-8,13-14,21,23-25H2,1H3
InChIKeyCGLFJUCNHCDOPF-UHFFFAOYSA-N
XLogP10.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.17
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine
CID 69327050
N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 142815134
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 18438522
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 18438521
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 18437639
4-tert-butyl-2-[[butyl-[[3-butyl-5-(4-chlorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol
CID 69325706
4-[[[3-butyl-5-(4-methoxyphenyl)-2-phenylimidazol-4-yl]methyl-(cyclohexylmethyl)amino]methyl]-2-hydroxybenzamide
CID 18437964
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine
CID 18438536
N-[[3-butyl-5-(4-chlorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2-chloro-4-fluorophenyl)methyl]butan-1-amine
CID 69326085
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]butan-1-amine
CID 69325596
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]butan-1-amine
CID 69326948
4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]cyclohexane-1,2-diol
CID 18437915

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine (CID 18437620) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cc(C(F)(F)F)ccc1Cl)CC1CCCCC1.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine?
The InChIKey is CGLFJUCNHCDOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39ClF3N3/c1-2-3-21-42-32(33(27-15-9-5-10-16-27)40-34(42)28-17-11-6-12-18-28)25-41(23-26-13-7-4-8-14-26)24-29-22-30(35(37,38)39)19-20-31(29)36/h5-6,9-12,15-20,22,26H,2-4,7-8,13-14,21,23-25H2,1H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine has a molecular weight of 594.17 g/mol, XLogP of 10.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 18437620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).