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

C15H20ClN3O — CID 82311826

IUPAC3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
SMILESOCCCn1c(CN2CCCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3O/c16-12-4-5-14-13(10-12)17-15(19(14)8-3-9-20)11-18-6-1-2-7-18/h4-5,10,20H,1-3,6-9,11H2
InChIKeyIAHXGLIUJYBZKH-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.67
Rot. Bonds5

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

3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol (PubChem CID 82311826) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
PubChem CID82311826
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
SMILESOCCCn1c(CN2CCCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3O/c16-12-4-5-14-13(10-12)17-15(19(14)8-3-9-20)11-18-6-1-2-7-18/h4-5,10,20H,1-3,6-9,11H2
InChIKeyIAHXGLIUJYBZKH-UHFFFAOYSA-N
XLogP2.67
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311837
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
CID 46308166
5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316362
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
CID 28819102
3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
CID 13105617
2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311696
2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310602
3-[5-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 46308571
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol
CID 46308488
(3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol
CID 95378823

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol (CID 82311826) is 3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol is OCCCn1c(CN2CCCC2)nc2cc(Cl)ccc21.
What is the InChIKey of 3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is IAHXGLIUJYBZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-12-4-5-14-13(10-12)17-15(19(14)8-3-9-20)11-18-6-1-2-7-18/h4-5,10,20H,1-3,6-9,11H2.
What are the key properties of 3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol?
3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 293.80 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82311826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).