N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine

C34H40BrN3 — CID 69327050

IUPACN-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1Br)CC1CCCCC1
InChIInChI=1S/C34H40BrN3/c1-2-3-23-38-32(33(28-17-9-5-10-18-28)36-34(38)29-19-11-6-12-20-29)26-37(24-27-15-7-4-8-16-27)25-30-21-13-14-22-31(30)35/h5-6,9-14,17-22,27H,2-4,7-8,15-16,23-26H2,1H3
InChIKeyBLUYLTHJKDHBHI-UHFFFAOYSA-N
MW570.62 g/mol
LogP9.36
Rot. Bonds11

About N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine

N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine (PubChem CID 69327050) has the molecular formula C34H40BrN3 and a molecular weight of 570.62 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine
PubChem CID69327050
Molecular FormulaC34H40BrN3
Molecular Weight570.62 g/mol
Exact Mass569.24
IUPAC NameN-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1Br)CC1CCCCC1
InChIInChI=1S/C34H40BrN3/c1-2-3-23-38-32(33(28-17-9-5-10-18-28)36-34(38)29-19-11-6-12-20-29)26-37(24-27-15-7-4-8-16-27)25-30-21-13-14-22-31(30)35/h5-6,9-14,17-22,27H,2-4,7-8,15-16,23-26H2,1H3
InChIKeyBLUYLTHJKDHBHI-UHFFFAOYSA-N
XLogP9.36
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.62
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(2-methylphenyl)methyl]butan-1-amine
CID 69326948
4-[[[3-butyl-5-(4-methoxyphenyl)-2-phenylimidazol-4-yl]methyl-(cyclohexylmethyl)amino]methyl]-2-hydroxybenzamide
CID 18437964
[2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol
CID 69326594
4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]cyclohexane-1,2-diol
CID 18437915
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]-1-phenylmethanamine
CID 69325586
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 69325492
N-(1,3-benzodioxol-4-ylmethyl)-N-[[3-butyl-5-(4-chlorophenyl)-2-phenylimidazol-4-yl]methyl]butan-1-amine
CID 69326065
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]butan-1-amine
CID 69325596
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-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 18438522
(1S)-1-(3-butyl-2,5-diphenylimidazol-4-yl)-N-(cyclohexylmethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]pentan-1-amine
CID 58817867

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine (CID 69327050) is N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1Br)CC1CCCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine?
The InChIKey is BLUYLTHJKDHBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40BrN3/c1-2-3-23-38-32(33(28-17-9-5-10-18-28)36-34(38)29-19-11-6-12-20-29)26-37(24-27-15-7-4-8-16-27)25-30-21-13-14-22-31(30)35/h5-6,9-14,17-22,27H,2-4,7-8,15-16,23-26H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine?
N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine has a molecular weight of 570.62 g/mol, XLogP of 9.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 69327050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).