N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine

C30H31ClF3N3 — CID 142815134

IUPACN-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(C)c1CN(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C30H31ClF3N3/c1-3-4-17-37-28(22(2)35-29(37)24-13-9-6-10-14-24)21-36(19-23-11-7-5-8-12-23)20-25-18-26(30(32,33)34)15-16-27(25)31/h5-16,18H,3-4,17,19-21H2,1-2H3
InChIKeyMPKOSNNYWWQFSZ-UHFFFAOYSA-N
MW526.05 g/mol
LogP8.53
Rot. Bonds10

About N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine

N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine (PubChem CID 142815134) has the molecular formula C30H31ClF3N3 and a molecular weight of 526.05 g/mol. Its IUPAC name is N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
PubChem CID142815134
Molecular FormulaC30H31ClF3N3
Molecular Weight526.05 g/mol
Exact Mass525.22
IUPAC NameN-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(C)c1CN(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C30H31ClF3N3/c1-3-4-17-37-28(22(2)35-29(37)24-13-9-6-10-14-24)21-36(19-23-11-7-5-8-12-23)20-25-18-26(30(32,33)34)15-16-27(25)31/h5-16,18H,3-4,17,19-21H2,1-2H3
InChIKeyMPKOSNNYWWQFSZ-UHFFFAOYSA-N
XLogP8.53
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.05
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-cyclohexylmethanamine
CID 18437620
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine
CID 18438536
1-(1,3-benzodioxol-5-yl)-N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]methanamine
CID 142815046
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]-1-phenylmethanamine
CID 69325586
N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine
CID 18438552
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 18437642
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 22493826
1-[4-(difluoromethoxy)phenyl]-N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]methanamine
CID 142815342
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-chlorophenyl)methyl]butan-1-amine
CID 69325801

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine (CID 142815134) is N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine is CCCCn1c(-c2ccccc2)nc(C)c1CN(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is MPKOSNNYWWQFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClF3N3/c1-3-4-17-37-28(22(2)35-29(37)24-13-9-6-10-14-24)21-36(19-23-11-7-5-8-12-23)20-25-18-26(30(32,33)34)15-16-27(25)31/h5-16,18H,3-4,17,19-21H2,1-2H3.
What are the key properties of N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 526.05 g/mol, XLogP of 8.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-5-methyl-2-phenylimidazol-4-yl)methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 142815134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).