1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol

C15H18Cl2N2O — CID 11709410

IUPAC1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol
SMILESCCCCC(O)(c1ccc(Cl)c(Cl)c1)c1nccn1C
InChIInChI=1S/C15H18Cl2N2O/c1-3-4-7-15(20,14-18-8-9-19(14)2)11-5-6-12(16)13(17)10-11/h5-6,8-10,20H,3-4,7H2,1-2H3
InChIKeyXMPXFKVLHVGEFZ-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.15
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol

1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol (PubChem CID 11709410) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol
PubChem CID11709410
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol
SMILESCCCCC(O)(c1ccc(Cl)c(Cl)c1)c1nccn1C
InChIInChI=1S/C15H18Cl2N2O/c1-3-4-7-15(20,14-18-8-9-19(14)2)11-5-6-12(16)13(17)10-11/h5-6,8-10,20H,3-4,7H2,1-2H3
InChIKeyXMPXFKVLHVGEFZ-UHFFFAOYSA-N
XLogP4.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
CID 32238
(1-Methylimidazol-2-yl)-diphenylmethanol
CID 3113722
Bis(1-methylimidazol-2-yl)-phenylmethanol
CID 2849523
Bis-(4-chloro-phenyl)-(1H-imidazol-2-yl)-methanol
CID 12433870
(5-chloro-1-methyl-1H-imidazol-2-yl)(diphenyl)methanol
CID 3795291
(5-chloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 650470
1-Cyclohexyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 44523522
(1-ethyl-1H-imidazol-2-yl)(diphenyl)methanol
CID 2881653
alpha-(4-Chlorophenyl)-1H-imidazole-1-ethanol
CID 91130
1-(Butylsulfanyl)-2-(2,4-dichlorophenyl)-3-(1H-imidazol-1-yl)propan-2-ol
CID 3010599
1H-Imidazole-1-ethanol, alpha-(4-chloro-2,3,5,6-tetramethylphenyl)-
CID 206017
1,1,2-tris(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethanol
CID 4197336

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol (CID 11709410) is 1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol is CCCCC(O)(c1ccc(Cl)c(Cl)c1)c1nccn1C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol?
The InChIKey is XMPXFKVLHVGEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c1-3-4-7-15(20,14-18-8-9-19(14)2)11-5-6-12(16)13(17)10-11/h5-6,8-10,20H,3-4,7H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol?
1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol has a molecular weight of 313.23 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol is sourced from PubChem (CID 11709410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).