1-cyclopropyl-2-pyridin-3-ylbenzimidazole

C15H13N3 — CID 121004872

IUPAC1-cyclopropyl-2-pyridin-3-ylbenzimidazole
SMILESc1cncc(-c2nc3ccccc3n2C2CC2)c1
InChIInChI=1S/C15H13N3/c1-2-6-14-13(5-1)17-15(18(14)12-7-8-12)11-4-3-9-16-10-11/h1-6,9-10,12H,7-8H2
InChIKeyHQGNIQRKGYWIAD-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.43
Rot. Bonds2

About 1-cyclopropyl-2-pyridin-3-ylbenzimidazole

1-cyclopropyl-2-pyridin-3-ylbenzimidazole (PubChem CID 121004872) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-pyridin-3-ylbenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-pyridin-3-ylbenzimidazole
PubChem CID121004872
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name1-cyclopropyl-2-pyridin-3-ylbenzimidazole
SMILESc1cncc(-c2nc3ccccc3n2C2CC2)c1
InChIInChI=1S/C15H13N3/c1-2-6-14-13(5-1)17-15(18(14)12-7-8-12)11-4-3-9-16-10-11/h1-6,9-10,12H,7-8H2
InChIKeyHQGNIQRKGYWIAD-UHFFFAOYSA-N
XLogP3.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-pyridin-3-ylbenzimidazole?
The IUPAC name of 1-cyclopropyl-2-pyridin-3-ylbenzimidazole (CID 121004872) is 1-cyclopropyl-2-pyridin-3-ylbenzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-pyridin-3-ylbenzimidazole?
The canonical SMILES for 1-cyclopropyl-2-pyridin-3-ylbenzimidazole is c1cncc(-c2nc3ccccc3n2C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-pyridin-3-ylbenzimidazole?
The InChIKey is HQGNIQRKGYWIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-6-14-13(5-1)17-15(18(14)12-7-8-12)11-4-3-9-16-10-11/h1-6,9-10,12H,7-8H2.
What are the key properties of 1-cyclopropyl-2-pyridin-3-ylbenzimidazole?
1-cyclopropyl-2-pyridin-3-ylbenzimidazole has a molecular weight of 235.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-pyridin-3-ylbenzimidazole is sourced from PubChem (CID 121004872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).