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

C35H33F4N3 — CID 18438522

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C35H33F4N3/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/h4-20,22H,2-3,21,23-25H2,1H3
InChIKeyQJVKXFMAPOOAHS-UHFFFAOYSA-N
MW571.66 g/mol
LogP9.38
Rot. Bonds11

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

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine (PubChem CID 18438522) has the molecular formula C35H33F4N3 and a molecular weight of 571.66 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
PubChem CID18438522
Molecular FormulaC35H33F4N3
Molecular Weight571.66 g/mol
Exact Mass571.26
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C35H33F4N3/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/h4-20,22H,2-3,21,23-25H2,1H3
InChIKeyQJVKXFMAPOOAHS-UHFFFAOYSA-N
XLogP9.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.66
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine (CID 18438522) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is QJVKXFMAPOOAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F4N3/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/h4-20,22H,2-3,21,23-25H2,1H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 571.66 g/mol, XLogP of 9.38, 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-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 18438522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).