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

C14H17ClN2O2 — CID 46308488

IUPAC3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol
SMILESOCCCn1c(C2CCCO2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O2/c15-10-4-5-12-11(9-10)16-14(13-3-1-8-19-13)17(12)6-2-7-18/h4-5,9,13,18H,1-3,6-8H2
InChIKeyTZIGBTBEFLJXMU-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.92
Rot. Bonds4

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

3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol (PubChem CID 46308488) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol
PubChem CID46308488
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol
SMILESOCCCn1c(C2CCCO2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O2/c15-10-4-5-12-11(9-10)16-14(13-3-1-8-19-13)17(12)6-2-7-18/h4-5,9,13,18H,1-3,6-8H2
InChIKeyTZIGBTBEFLJXMU-UHFFFAOYSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol (CID 46308488) is 3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol is OCCCn1c(C2CCCO2)nc2cc(Cl)ccc21.
What is the InChIKey of 3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is TZIGBTBEFLJXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-10-4-5-12-11(9-10)16-14(13-3-1-8-19-13)17(12)6-2-7-18/h4-5,9,13,18H,1-3,6-8H2.
What are the key properties of 3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol?
3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 280.75 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 46308488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).