1-(1,3-dioxolan-4-ylmethyl)benzimidazole

C11H12N2O2 — CID 58743711

IUPAC1-(1,3-dioxolan-4-ylmethyl)benzimidazole
SMILESc1ccc2c(c1)ncn2CC1COCO1
InChIInChI=1S/C11H12N2O2/c1-2-4-11-10(3-1)12-7-13(11)5-9-6-14-8-15-9/h1-4,7,9H,5-6,8H2
InChIKeyMAQNFPORZBKZKP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.41
Rot. Bonds2

About 1-(1,3-dioxolan-4-ylmethyl)benzimidazole

1-(1,3-dioxolan-4-ylmethyl)benzimidazole (PubChem CID 58743711) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(1,3-dioxolan-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-(1,3-dioxolan-4-ylmethyl)benzimidazole
PubChem CID58743711
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(1,3-dioxolan-4-ylmethyl)benzimidazole
SMILESc1ccc2c(c1)ncn2CC1COCO1
InChIInChI=1S/C11H12N2O2/c1-2-4-11-10(3-1)12-7-13(11)5-9-6-14-8-15-9/h1-4,7,9H,5-6,8H2
InChIKeyMAQNFPORZBKZKP-UHFFFAOYSA-N
XLogP1.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-4-ylmethyl)benzimidazole?
The IUPAC name of 1-(1,3-dioxolan-4-ylmethyl)benzimidazole (CID 58743711) is 1-(1,3-dioxolan-4-ylmethyl)benzimidazole.
What is the SMILES notation for 1-(1,3-dioxolan-4-ylmethyl)benzimidazole?
The canonical SMILES for 1-(1,3-dioxolan-4-ylmethyl)benzimidazole is c1ccc2c(c1)ncn2CC1COCO1.
What is the InChIKey of 1-(1,3-dioxolan-4-ylmethyl)benzimidazole?
The InChIKey is MAQNFPORZBKZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-4-11-10(3-1)12-7-13(11)5-9-6-14-8-15-9/h1-4,7,9H,5-6,8H2.
What are the key properties of 1-(1,3-dioxolan-4-ylmethyl)benzimidazole?
1-(1,3-dioxolan-4-ylmethyl)benzimidazole has a molecular weight of 204.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-4-ylmethyl)benzimidazole is sourced from PubChem (CID 58743711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).