2-propoxy-2H-benzimidazole

C10H12N2O — CID 173342740

IUPAC2-propoxy-2H-benzimidazole
SMILESCCCOC1N=c2ccccc2=N1
InChIInChI=1S/C10H12N2O/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h3-6,10H,2,7H2,1H3
InChIKeyYPCFRAYPOXQSTM-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.65
Rot. Bonds3

About 2-propoxy-2H-benzimidazole

2-propoxy-2H-benzimidazole (PubChem CID 173342740) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-propoxy-2H-benzimidazole.

Molecular Properties

Compound Name2-propoxy-2H-benzimidazole
PubChem CID173342740
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-propoxy-2H-benzimidazole
SMILESCCCOC1N=c2ccccc2=N1
InChIInChI=1S/C10H12N2O/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h3-6,10H,2,7H2,1H3
InChIKeyYPCFRAYPOXQSTM-UHFFFAOYSA-N
XLogP0.65
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-2H-benzimidazole?
The IUPAC name of 2-propoxy-2H-benzimidazole (CID 173342740) is 2-propoxy-2H-benzimidazole.
What is the SMILES notation for 2-propoxy-2H-benzimidazole?
The canonical SMILES for 2-propoxy-2H-benzimidazole is CCCOC1N=c2ccccc2=N1.
What is the InChIKey of 2-propoxy-2H-benzimidazole?
The InChIKey is YPCFRAYPOXQSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h3-6,10H,2,7H2,1H3.
What are the key properties of 2-propoxy-2H-benzimidazole?
2-propoxy-2H-benzimidazole has a molecular weight of 176.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-2H-benzimidazole is sourced from PubChem (CID 173342740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).