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

C35H32ClF4N3 — CID 18437639

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C35H32ClF4N3/c1-2-3-19-43-32(33(27-12-6-4-7-13-27)41-34(43)28-14-8-5-9-15-28)24-42(23-26-17-18-30(36)31(37)21-26)22-25-11-10-16-29(20-25)35(38,39)40/h4-18,20-21H,2-3,19,22-24H2,1H3
InChIKeyDDHPRBMUCVSVQL-UHFFFAOYSA-N
MW606.11 g/mol
LogP10.03
Rot. Bonds11

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

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 18437639) has the molecular formula C35H32ClF4N3 and a molecular weight of 606.11 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID18437639
Molecular FormulaC35H32ClF4N3
Molecular Weight606.11 g/mol
Exact Mass605.22
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C35H32ClF4N3/c1-2-3-19-43-32(33(27-12-6-4-7-13-27)41-34(43)28-14-8-5-9-15-28)24-42(23-26-17-18-30(36)31(37)21-26)22-25-11-10-16-29(20-25)35(38,39)40/h4-18,20-21H,2-3,19,22-24H2,1H3
InChIKeyDDHPRBMUCVSVQL-UHFFFAOYSA-N
XLogP10.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.11
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (CID 18437639) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DDHPRBMUCVSVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32ClF4N3/c1-2-3-19-43-32(33(27-12-6-4-7-13-27)41-34(43)28-14-8-5-9-15-28)24-42(23-26-17-18-30(36)31(37)21-26)22-25-11-10-16-29(20-25)35(38,39)40/h4-18,20-21H,2-3,19,22-24H2,1H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 606.11 g/mol, XLogP of 10.03, 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-[(4-chloro-3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 18437639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).