4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole

C13H15ClN2O — CID 65155499

IUPAC4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole
SMILESClc1cccc2[nH]c(CCC3CCCO3)nc12
InChIInChI=1S/C13H15ClN2O/c14-10-4-1-5-11-13(10)16-12(15-11)7-6-9-3-2-8-17-9/h1,4-5,9H,2-3,6-8H2,(H,15,16)
InChIKeyRSEUBWZAVSNOLZ-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.33
Rot. Bonds3

About 4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole

4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole (PubChem CID 65155499) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole
PubChem CID65155499
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole
SMILESClc1cccc2[nH]c(CCC3CCCO3)nc12
InChIInChI=1S/C13H15ClN2O/c14-10-4-1-5-11-13(10)16-12(15-11)7-6-9-3-2-8-17-9/h1,4-5,9H,2-3,6-8H2,(H,15,16)
InChIKeyRSEUBWZAVSNOLZ-UHFFFAOYSA-N
XLogP3.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole (CID 65155499) is 4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole is Clc1cccc2[nH]c(CCC3CCCO3)nc12.
What is the InChIKey of 4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole?
The InChIKey is RSEUBWZAVSNOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-10-4-1-5-11-13(10)16-12(15-11)7-6-9-3-2-8-17-9/h1,4-5,9H,2-3,6-8H2,(H,15,16).
What are the key properties of 4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole?
4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole has a molecular weight of 250.73 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 65155499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).