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

C12H15ClN2O2 — CID 46308438

IUPAC3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
SMILESCC(O)c1nc2cc(Cl)ccc2n1CCCO
InChIInChI=1S/C12H15ClN2O2/c1-8(17)12-14-10-7-9(13)3-4-11(10)15(12)5-2-6-16/h3-4,7-8,16-17H,2,5-6H2,1H3
InChIKeyJRAWLAKMAUDJQD-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.13
Rot. Bonds4

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

3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol (PubChem CID 46308438) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
PubChem CID46308438
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
SMILESCC(O)c1nc2cc(Cl)ccc2n1CCCO
InChIInChI=1S/C12H15ClN2O2/c1-8(17)12-14-10-7-9(13)3-4-11(10)15(12)5-2-6-16/h3-4,7-8,16-17H,2,5-6H2,1H3
InChIKeyJRAWLAKMAUDJQD-UHFFFAOYSA-N
XLogP2.13
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 51977609
1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol
CID 46309801
2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
CID 82332591
4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60862901
5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240379
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
(1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol
CID 51978429
2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid
CID 46308149
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268
1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol
CID 46309522

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol (CID 46308438) is 3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol is CC(O)c1nc2cc(Cl)ccc2n1CCCO.
What is the InChIKey of 3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is JRAWLAKMAUDJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8(17)12-14-10-7-9(13)3-4-11(10)15(12)5-2-6-16/h3-4,7-8,16-17H,2,5-6H2,1H3.
What are the key properties of 3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol?
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 254.72 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 46308438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).