4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole

C15H12FN3 — CID 118332649

IUPAC4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole
SMILESC=C(C)c1cccc(-n2cnc3c(F)cccc32)n1
InChIInChI=1S/C15H12FN3/c1-10(2)12-6-4-8-14(18-12)19-9-17-15-11(16)5-3-7-13(15)19/h3-9H,1H2,2H3
InChIKeyMKLQLLKCYWKRDG-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.59
Rot. Bonds2

About 4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole

4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole (PubChem CID 118332649) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole.

Molecular Properties

Compound Name4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole
PubChem CID118332649
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole
SMILESC=C(C)c1cccc(-n2cnc3c(F)cccc32)n1
InChIInChI=1S/C15H12FN3/c1-10(2)12-6-4-8-14(18-12)19-9-17-15-11(16)5-3-7-13(15)19/h3-9H,1H2,2H3
InChIKeyMKLQLLKCYWKRDG-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole?
The IUPAC name of 4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole (CID 118332649) is 4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole.
What is the SMILES notation for 4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole?
The canonical SMILES for 4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole is C=C(C)c1cccc(-n2cnc3c(F)cccc32)n1.
What is the InChIKey of 4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole?
The InChIKey is MKLQLLKCYWKRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c1-10(2)12-6-4-8-14(18-12)19-9-17-15-11(16)5-3-7-13(15)19/h3-9H,1H2,2H3.
What are the key properties of 4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole?
4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole has a molecular weight of 253.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole is sourced from PubChem (CID 118332649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).