6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole

C14H17ClN2O — CID 46310785

IUPAC6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole
SMILESCCCn1c(C2CCCO2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H17ClN2O/c1-2-7-17-12-9-10(15)5-6-11(12)16-14(17)13-4-3-8-18-13/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyXOUUFSGUGPWEQA-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.95
Rot. Bonds3

About 6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole

6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole (PubChem CID 46310785) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole
PubChem CID46310785
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole
SMILESCCCn1c(C2CCCO2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H17ClN2O/c1-2-7-17-12-9-10(15)5-6-11(12)16-14(17)13-4-3-8-18-13/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyXOUUFSGUGPWEQA-UHFFFAOYSA-N
XLogP3.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole?
The IUPAC name of 6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole (CID 46310785) is 6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole.
What is the SMILES notation for 6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole?
The canonical SMILES for 6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole is CCCn1c(C2CCCO2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole?
The InChIKey is XOUUFSGUGPWEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-2-7-17-12-9-10(15)5-6-11(12)16-14(17)13-4-3-8-18-13/h5-6,9,13H,2-4,7-8H2,1H3.
What are the key properties of 6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole?
6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole has a molecular weight of 264.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole is sourced from PubChem (CID 46310785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).