N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine

C35H35F2N3O — CID 69326461

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C35H35F2N3O/c1-3-4-21-40-33(34(28-11-7-5-8-12-28)38-35(40)29-13-9-6-10-14-29)25-39(23-26-15-18-30(41-2)19-16-26)24-27-17-20-31(36)32(37)22-27/h5-20,22H,3-4,21,23-25H2,1-2H3
InChIKeyJJNPABYLWASROY-UHFFFAOYSA-N
MW551.68 g/mol
LogP8.51
Rot. Bonds12

About N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 69326461) has the molecular formula C35H35F2N3O and a molecular weight of 551.68 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID69326461
Molecular FormulaC35H35F2N3O
Molecular Weight551.68 g/mol
Exact Mass551.27
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C35H35F2N3O/c1-3-4-21-40-33(34(28-11-7-5-8-12-28)38-35(40)29-13-9-6-10-14-29)25-39(23-26-15-18-30(41-2)19-16-26)24-27-17-20-31(36)32(37)22-27/h5-20,22H,3-4,21,23-25H2,1-2H3
InChIKeyJJNPABYLWASROY-UHFFFAOYSA-N
XLogP8.51
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.68
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine
CID 69327348
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 69326108
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine
CID 18438536
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 69325492
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 22493826
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 69325927
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
CID 69330877
N-[(4-butoxyphenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]butan-1-amine
CID 69325654
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-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine
CID 18438342
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 18438337
methyl 3-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]-5-methoxybenzoate
CID 91254611

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine (CID 69326461) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is JJNPABYLWASROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F2N3O/c1-3-4-21-40-33(34(28-11-7-5-8-12-28)38-35(40)29-13-9-6-10-14-29)25-39(23-26-15-18-30(41-2)19-16-26)24-27-17-20-31(36)32(37)22-27/h5-20,22H,3-4,21,23-25H2,1-2H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 551.68 g/mol, XLogP of 8.51, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 69326461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).