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

C30H30F5N3O — CID 18438552

IUPACN-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccccc1)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C30H30F5N3O/c1-2-3-18-38-26(27(30(33,34)35)36-28(38)24-12-8-5-9-13-24)21-37(19-22-10-6-4-7-11-22)20-23-14-16-25(17-15-23)39-29(31)32/h4-17,29H,2-3,18-21H2,1H3
InChIKeyXOLPHBHAAQDTRZ-UHFFFAOYSA-N
MW543.58 g/mol
LogP8.17
Rot. Bonds12

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

N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine (PubChem CID 18438552) has the molecular formula C30H30F5N3O and a molecular weight of 543.58 g/mol. Its IUPAC name is N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine
PubChem CID18438552
Molecular FormulaC30H30F5N3O
Molecular Weight543.58 g/mol
Exact Mass543.23
IUPAC NameN-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccccc1)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C30H30F5N3O/c1-2-3-18-38-26(27(30(33,34)35)36-28(38)24-12-8-5-9-13-24)21-37(19-22-10-6-4-7-11-22)20-23-14-16-25(17-15-23)39-29(31)32/h4-17,29H,2-3,18-21H2,1H3
InChIKeyXOLPHBHAAQDTRZ-UHFFFAOYSA-N
XLogP8.17
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.58
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 18438337
N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 142815143
1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 18437757
N-[(5-bromo-3-butyl-2-phenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 58818081
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-(3,4-dihydroquinolin-6-ylmethyl)methanamine
CID 140576048
4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]cyclohexane-1,2-diol
CID 18437915
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 18437564
1-[4-(difluoromethoxy)phenyl]-N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]methanamine
CID 142815342
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-5-(3-ethoxyphenyl)-2-phenylimidazol-4-yl]methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 18437556
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 18437642
4-[[2-[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]ethyl-(3-methylbutyl)amino]methyl]benzamide
CID 142815302

Frequently Asked Questions

What is the IUPAC name of N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine (CID 18438552) is N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine is CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccccc1)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is XOLPHBHAAQDTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F5N3O/c1-2-3-18-38-26(27(30(33,34)35)36-28(38)24-12-8-5-9-13-24)21-37(19-22-10-6-4-7-11-22)20-23-14-16-25(17-15-23)39-29(31)32/h4-17,29H,2-3,18-21H2,1H3.
What are the key properties of N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine?
N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 543.58 g/mol, XLogP of 8.17, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 18438552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).