4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol

C29H32ClN3O2 — CID 69326229

IUPAC4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol
SMILESCCCCn1c(CN(Cc2ccc(CO)cc2)Cc2ccc(O)cc2Cl)cnc1-c1ccccc1
InChIInChI=1S/C29H32ClN3O2/c1-2-3-15-33-26(17-31-29(33)24-7-5-4-6-8-24)20-32(18-22-9-11-23(21-34)12-10-22)19-25-13-14-27(35)16-28(25)30/h4-14,16-17,34-35H,2-3,15,18-21H2,1H3
InChIKeyYYDLMISJOJQDIR-UHFFFAOYSA-N
MW490.05 g/mol
LogP6.40
Rot. Bonds11

About 4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol

4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol (PubChem CID 69326229) has the molecular formula C29H32ClN3O2 and a molecular weight of 490.05 g/mol. Its IUPAC name is 4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol.

Molecular Properties

Compound Name4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol
PubChem CID69326229
Molecular FormulaC29H32ClN3O2
Molecular Weight490.05 g/mol
Exact Mass489.22
IUPAC Name4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol
SMILESCCCCn1c(CN(Cc2ccc(CO)cc2)Cc2ccc(O)cc2Cl)cnc1-c1ccccc1
InChIInChI=1S/C29H32ClN3O2/c1-2-3-15-33-26(17-31-29(33)24-7-5-4-6-8-24)20-32(18-22-9-11-23(21-34)12-10-22)19-25-13-14-27(35)16-28(25)30/h4-14,16-17,34-35H,2-3,15,18-21H2,1H3
InChIKeyYYDLMISJOJQDIR-UHFFFAOYSA-N
XLogP6.40
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.05
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol 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-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine
CID 69301657
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(2-chlorophenyl)methyl]-2-phenylethanamine
CID 69326113
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
CID 10274945
4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline
CID 10181651
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine
CID 69325628
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 69326007
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine
CID 69326080
5-[[butyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-2-hydroxybenzoic acid
CID 69325498
4-[[benzyl-[(3-butyl-2-cyclohexa-1,5-dien-1-yl-5-phenylimidazol-4-yl)methyl]amino]methyl]-3-chlorophenol
CID 71069197
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine
CID 69325911
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 69327340
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 4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol?
The IUPAC name of 4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol (CID 69326229) is 4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol.
What is the SMILES notation for 4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol?
The canonical SMILES for 4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol is CCCCn1c(CN(Cc2ccc(CO)cc2)Cc2ccc(O)cc2Cl)cnc1-c1ccccc1.
What is the InChIKey of 4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol?
The InChIKey is YYDLMISJOJQDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O2/c1-2-3-15-33-26(17-31-29(33)24-7-5-4-6-8-24)20-32(18-22-9-11-23(21-34)12-10-22)19-25-13-14-27(35)16-28(25)30/h4-14,16-17,34-35H,2-3,15,18-21H2,1H3.
What are the key properties of 4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol?
4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol has a molecular weight of 490.05 g/mol, XLogP of 6.40, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-butyl-2-phenylimidazol-4-yl)methyl-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]-3-chlorophenol is sourced from PubChem (CID 69326229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).