6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole

C16H14FN3 — CID 56645155

IUPAC6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole
SMILESCC1(n2c(-c3cccnc3)nc3ccc(F)cc32)CC1
InChIInChI=1S/C16H14FN3/c1-16(6-7-16)20-14-9-12(17)4-5-13(14)19-15(20)11-3-2-8-18-10-11/h2-5,8-10H,6-7H2,1H3
InChIKeyQSLWQORQJVXQRP-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.75
Rot. Bonds2

About 6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole

6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole (PubChem CID 56645155) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole.

Molecular Properties

Compound Name6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole
PubChem CID56645155
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole
SMILESCC1(n2c(-c3cccnc3)nc3ccc(F)cc32)CC1
InChIInChI=1S/C16H14FN3/c1-16(6-7-16)20-14-9-12(17)4-5-13(14)19-15(20)11-3-2-8-18-10-11/h2-5,8-10H,6-7H2,1H3
InChIKeyQSLWQORQJVXQRP-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole?
The IUPAC name of 6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole (CID 56645155) is 6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole.
What is the SMILES notation for 6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole?
The canonical SMILES for 6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole is CC1(n2c(-c3cccnc3)nc3ccc(F)cc32)CC1.
What is the InChIKey of 6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole?
The InChIKey is QSLWQORQJVXQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-16(6-7-16)20-14-9-12(17)4-5-13(14)19-15(20)11-3-2-8-18-10-11/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole?
6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole has a molecular weight of 267.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(1-methylcyclopropyl)-2-pyridin-3-ylbenzimidazole is sourced from PubChem (CID 56645155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).