3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol

C13H14Cl2N2O — CID 70281627

IUPAC3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol
SMILESOCCC(Cc1ncc[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O/c14-11-2-1-9(7-12(11)15)10(3-6-18)8-13-16-4-5-17-13/h1-2,4-5,7,10,18H,3,6,8H2,(H,16,17)
InChIKeyRVMSBQAONMPVHH-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.43
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol

3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol (PubChem CID 70281627) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol
PubChem CID70281627
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol
SMILESOCCC(Cc1ncc[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O/c14-11-2-1-9(7-12(11)15)10(3-6-18)8-13-16-4-5-17-13/h1-2,4-5,7,10,18H,3,6,8H2,(H,16,17)
InChIKeyRVMSBQAONMPVHH-UHFFFAOYSA-N
XLogP3.43
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 10824416
(3S)-3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 20794252
2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole
CID 103210719
2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole
CID 61096584
4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol
CID 111449052
2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064
1-(2-chlorophenyl)-2-(1H-imidazol-2-yl)ethanol
CID 22324903
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952
1-(3,4-dimethylphenyl)-2-(1H-imidazol-2-yl)ethanol
CID 61083210
2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole
CID 61085454
2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole
CID 61086063
2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole
CID 61085033

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol?
The IUPAC name of 3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol (CID 70281627) is 3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol?
The canonical SMILES for 3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol is OCCC(Cc1ncc[nH]1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol?
The InChIKey is RVMSBQAONMPVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c14-11-2-1-9(7-12(11)15)10(3-6-18)8-13-16-4-5-17-13/h1-2,4-5,7,10,18H,3,6,8H2,(H,16,17).
What are the key properties of 3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol?
3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol has a molecular weight of 285.17 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol is sourced from PubChem (CID 70281627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).