[3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol

C21H24ClN3O — CID 13074103

IUPAC[3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol
SMILESCCCCNc1ccc(-c2nc(Cl)c(CO)n2Cc2ccccc2)cc1
InChIInChI=1S/C21H24ClN3O/c1-2-3-13-23-18-11-9-17(10-12-18)21-24-20(22)19(15-26)25(21)14-16-7-5-4-6-8-16/h4-12,23,26H,2-3,13-15H2,1H3
InChIKeyQNPARYLGGYCJHA-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.96
Rot. Bonds8

About [3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol

[3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol (PubChem CID 13074103) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is [3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol
PubChem CID13074103
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name[3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol
SMILESCCCCNc1ccc(-c2nc(Cl)c(CO)n2Cc2ccccc2)cc1
InChIInChI=1S/C21H24ClN3O/c1-2-3-13-23-18-11-9-17(10-12-18)21-24-20(22)19(15-26)25(21)14-16-7-5-4-6-8-16/h4-12,23,26H,2-3,13-15H2,1H3
InChIKeyQNPARYLGGYCJHA-UHFFFAOYSA-N
XLogP4.96
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol
CID 15099345
N-[4-[1-benzyl-4-chloro-5-(cyanomethyl)imidazol-2-yl]phenyl]butanamide
CID 13075835
[5-chloro-3-[(4-nitrophenyl)methyl]-2-phenylimidazol-4-yl]methanol
CID 15099361
1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole
CID 45112125
2-[3-benzyl-5-chloro-2-(4-fluorophenyl)imidazol-4-yl]acetonitrile
CID 139725996
2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile
CID 15099388
2-[2-(4-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid
CID 13075859
[2-butyl-5-chloro-3-[[4-(2-iodophenyl)phenyl]methyl]imidazol-4-yl]methanol
CID 19955610
4-benzyl-7-[4-(butylamino)phenyl]-6-(4-hydroxybutyl)purino[7,8-a]imidazole-1,3-dione;ethane
CID 143836700
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine
CID 70368542
(5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol
CID 18437785

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol?
The IUPAC name of [3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol (CID 13074103) is [3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol.
What is the SMILES notation for [3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol?
The canonical SMILES for [3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol is CCCCNc1ccc(-c2nc(Cl)c(CO)n2Cc2ccccc2)cc1.
What is the InChIKey of [3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol?
The InChIKey is QNPARYLGGYCJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-2-3-13-23-18-11-9-17(10-12-18)21-24-20(22)19(15-26)25(21)14-16-7-5-4-6-8-16/h4-12,23,26H,2-3,13-15H2,1H3.
What are the key properties of [3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol?
[3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol has a molecular weight of 369.90 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-2-[4-(butylamino)phenyl]-5-chloroimidazol-4-yl]methanol is sourced from PubChem (CID 13074103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).