1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole

C15H12FN3 — CID 56645362

IUPAC1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole
SMILESFc1ccc2c(c1)nc(-c1cccnc1)n2C1CC1
InChIInChI=1S/C15H12FN3/c16-11-3-6-14-13(8-11)18-15(19(14)12-4-5-12)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2
InChIKeyJHTXSUKMIKCGTR-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.57
Rot. Bonds2

About 1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole

1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole (PubChem CID 56645362) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole
PubChem CID56645362
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole
SMILESFc1ccc2c(c1)nc(-c1cccnc1)n2C1CC1
InChIInChI=1S/C15H12FN3/c16-11-3-6-14-13(8-11)18-15(19(14)12-4-5-12)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2
InChIKeyJHTXSUKMIKCGTR-UHFFFAOYSA-N
XLogP3.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole?
The IUPAC name of 1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole (CID 56645362) is 1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole.
What is the SMILES notation for 1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole?
The canonical SMILES for 1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole is Fc1ccc2c(c1)nc(-c1cccnc1)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole?
The InChIKey is JHTXSUKMIKCGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-11-3-6-14-13(8-11)18-15(19(14)12-4-5-12)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2.
What are the key properties of 1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole?
1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole has a molecular weight of 253.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole is sourced from PubChem (CID 56645362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).