2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol

C12H15ClN2O — CID 83868113

IUPAC2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol
SMILESCC(C)n1c(CCO)nc2cc(Cl)ccc21
InChIInChI=1S/C12H15ClN2O/c1-8(2)15-11-4-3-9(13)7-10(11)14-12(15)5-6-16/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyWCYDWSISPSOXHZ-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.81
Rot. Bonds3

About 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol

2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol (PubChem CID 83868113) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol
PubChem CID83868113
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol
SMILESCC(C)n1c(CCO)nc2cc(Cl)ccc21
InChIInChI=1S/C12H15ClN2O/c1-8(2)15-11-4-3-9(13)7-10(11)14-12(15)5-6-16/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyWCYDWSISPSOXHZ-UHFFFAOYSA-N
XLogP2.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol 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

2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60785204
N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 60837684
5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole
CID 43666604
5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
CID 46310630
2-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanol
CID 83858384
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
(2S)-2-amino-3-[1-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]imidazol-4-yl]propan-1-ol
CID 167976514
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 55105214
3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334838
5-chloro-1-propan-2-ylbenzimidazole-2-carbaldehyde
CID 50877058

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol?
The IUPAC name of 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol (CID 83868113) is 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol is CC(C)n1c(CCO)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol?
The InChIKey is WCYDWSISPSOXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8(2)15-11-4-3-9(13)7-10(11)14-12(15)5-6-16/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol?
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol has a molecular weight of 238.72 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 83868113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).