3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol

C12H15ClN2O2 — CID 46308166

IUPAC3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2cc(Cl)ccc2n1CCO
InChIInChI=1S/C12H15ClN2O2/c13-9-3-4-11-10(8-9)14-12(2-1-6-16)15(11)5-7-17/h3-4,8,16-17H,1-2,5-7H2
InChIKeyYBNNUFXQKHOVDN-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.61
Rot. Bonds5

About 3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol

3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 46308166) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
PubChem CID46308166
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2cc(Cl)ccc2n1CCO
InChIInChI=1S/C12H15ClN2O2/c13-9-3-4-11-10(8-9)14-12(2-1-6-16)15(11)5-7-17/h3-4,8,16-17H,1-2,5-7H2
InChIKeyYBNNUFXQKHOVDN-UHFFFAOYSA-N
XLogP1.61
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
3-[5-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 46308571
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
CID 28819102
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311826
3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308504
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666496
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2945925

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol (CID 46308166) is 3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol is OCCCc1nc2cc(Cl)ccc2n1CCO.
What is the InChIKey of 3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is YBNNUFXQKHOVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-9-3-4-11-10(8-9)14-12(2-1-6-16)15(11)5-7-17/h3-4,8,16-17H,1-2,5-7H2.
What are the key properties of 3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol?
3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 254.72 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 46308166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).