N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine

C34H42FN3O2 — CID 69327394

IUPACN-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccc(OC)c(C)c1OC)Cc1c(-c2ccc(F)cc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C34H42FN3O2/c1-6-8-21-37(23-28-17-20-31(39-4)25(3)33(28)40-5)24-30-32(26-15-18-29(35)19-16-26)36-34(38(30)22-9-7-2)27-13-11-10-12-14-27/h10-20H,6-9,21-24H2,1-5H3
InChIKeyYUYJKLTVOIIXND-UHFFFAOYSA-N
MW543.73 g/mol
LogP8.28
Rot. Bonds14

About N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine

N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine (PubChem CID 69327394) has the molecular formula C34H42FN3O2 and a molecular weight of 543.73 g/mol. Its IUPAC name is N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine
PubChem CID69327394
Molecular FormulaC34H42FN3O2
Molecular Weight543.73 g/mol
Exact Mass543.33
IUPAC NameN-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccc(OC)c(C)c1OC)Cc1c(-c2ccc(F)cc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C34H42FN3O2/c1-6-8-21-37(23-28-17-20-31(39-4)25(3)33(28)40-5)24-30-32(26-15-18-29(35)19-16-26)36-34(38(30)22-9-7-2)27-13-11-10-12-14-27/h10-20H,6-9,21-24H2,1-5H3
InChIKeyYUYJKLTVOIIXND-UHFFFAOYSA-N
XLogP8.28
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.73
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-[(3-pentyl-2,5-diphenylimidazol-4-yl)methyl]butan-1-amine
CID 69327466
N-[(2,5-diphenyl-3-propylimidazol-4-yl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine
CID 69326311
N-[[3-butyl-5-(4-chlorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2-chloro-4-fluorophenyl)methyl]butan-1-amine
CID 69326085
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-[(2-methylphenyl)methyl]butan-1-amine
CID 69326948
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methyl]butan-1-amine
CID 69326872
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine
CID 18438310
3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol
CID 69326478
[2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol
CID 69326594
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 69325492
4-bromo-2-[[butyl-[(3-pentyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-6-methoxyphenol
CID 69302473
4-[[butyl-[[3-butyl-5-(2-methoxyphenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]-3-chlorophenol
CID 69326266

Frequently Asked Questions

What is the IUPAC name of N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine?
The IUPAC name of N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine (CID 69327394) is N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine is CCCCN(Cc1ccc(OC)c(C)c1OC)Cc1c(-c2ccc(F)cc2)nc(-c2ccccc2)n1CCCC.
What is the InChIKey of N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine?
The InChIKey is YUYJKLTVOIIXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42FN3O2/c1-6-8-21-37(23-28-17-20-31(39-4)25(3)33(28)40-5)24-30-32(26-15-18-29(35)19-16-26)36-34(38(30)22-9-7-2)27-13-11-10-12-14-27/h10-20H,6-9,21-24H2,1-5H3.
What are the key properties of N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine?
N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine has a molecular weight of 543.73 g/mol, XLogP of 8.28, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 69327394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).