1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile

C15H11FN4 — CID 104786689

IUPAC1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile
SMILESCCn1c(-c2cncc(F)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C15H11FN4/c1-2-20-14-4-3-10(7-17)5-13(14)19-15(20)11-6-12(16)9-18-8-11/h3-6,8-9H,2H2,1H3
InChIKeyLWDSICBYPBXVKN-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.13
Rot. Bonds2

About 1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile

1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile (PubChem CID 104786689) has the molecular formula C15H11FN4 and a molecular weight of 266.28 g/mol. Its IUPAC name is 1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile
PubChem CID104786689
Molecular FormulaC15H11FN4
Molecular Weight266.28 g/mol
Exact Mass266.10
IUPAC Name1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile
SMILESCCn1c(-c2cncc(F)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C15H11FN4/c1-2-20-14-4-3-10(7-17)5-13(14)19-15(20)11-6-12(16)9-18-8-11/h3-6,8-9H,2H2,1H3
InChIKeyLWDSICBYPBXVKN-UHFFFAOYSA-N
XLogP3.13
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040108
1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile
CID 102922935
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104786693
2-(3-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040309
2-(3-bromophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040395
2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040586
2-(3-chloro-5-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 81315845
2-(3-bromo-5-chlorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 107941809
1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile
CID 75391041
2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile (CID 104786689) is 1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile is CCn1c(-c2cncc(F)c2)nc2cc(C#N)ccc21.
What is the InChIKey of 1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile?
The InChIKey is LWDSICBYPBXVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4/c1-2-20-14-4-3-10(7-17)5-13(14)19-15(20)11-6-12(16)9-18-8-11/h3-6,8-9H,2H2,1H3.
What are the key properties of 1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile?
1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile has a molecular weight of 266.28 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104786689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).