1-(cyclopropylmethoxy)benzimidazole

C11H12N2O — CID 67806011

IUPAC1-(cyclopropylmethoxy)benzimidazole
SMILESc1ccc2c(c1)ncn2OCC1CC1
InChIInChI=1S/C11H12N2O/c1-2-4-11-10(3-1)12-8-13(11)14-7-9-5-6-9/h1-4,8-9H,5-7H2
InChIKeyRTQBUZSCCXUXGK-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.87
Rot. Bonds3

About 1-(cyclopropylmethoxy)benzimidazole

1-(cyclopropylmethoxy)benzimidazole (PubChem CID 67806011) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)benzimidazole.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)benzimidazole
PubChem CID67806011
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(cyclopropylmethoxy)benzimidazole
SMILESc1ccc2c(c1)ncn2OCC1CC1
InChIInChI=1S/C11H12N2O/c1-2-4-11-10(3-1)12-8-13(11)14-7-9-5-6-9/h1-4,8-9H,5-7H2
InChIKeyRTQBUZSCCXUXGK-UHFFFAOYSA-N
XLogP1.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)benzimidazole?
The IUPAC name of 1-(cyclopropylmethoxy)benzimidazole (CID 67806011) is 1-(cyclopropylmethoxy)benzimidazole.
What is the SMILES notation for 1-(cyclopropylmethoxy)benzimidazole?
The canonical SMILES for 1-(cyclopropylmethoxy)benzimidazole is c1ccc2c(c1)ncn2OCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)benzimidazole?
The InChIKey is RTQBUZSCCXUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-4-11-10(3-1)12-8-13(11)14-7-9-5-6-9/h1-4,8-9H,5-7H2.
What are the key properties of 1-(cyclopropylmethoxy)benzimidazole?
1-(cyclopropylmethoxy)benzimidazole has a molecular weight of 188.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)benzimidazole is sourced from PubChem (CID 67806011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).