2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile

C16H11ClFN3 — CID 65040586

IUPAC2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
SMILESCCn1c(-c2cc(Cl)ccc2F)nc2cc(C#N)ccc21
InChIInChI=1S/C16H11ClFN3/c1-2-21-15-6-3-10(9-19)7-14(15)20-16(21)12-8-11(17)4-5-13(12)18/h3-8H,2H2,1H3
InChIKeyZRSCJOCJLLIUGE-UHFFFAOYSA-N
MW299.74 g/mol
LogP4.39
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile

2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile (PubChem CID 65040586) has the molecular formula C16H11ClFN3 and a molecular weight of 299.74 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
PubChem CID65040586
Molecular FormulaC16H11ClFN3
Molecular Weight299.74 g/mol
Exact Mass299.06
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
SMILESCCn1c(-c2cc(Cl)ccc2F)nc2cc(C#N)ccc21
InChIInChI=1S/C16H11ClFN3/c1-2-21-15-6-3-10(9-19)7-14(15)20-16(21)12-8-11(17)4-5-13(12)18/h3-8H,2H2,1H3
InChIKeyZRSCJOCJLLIUGE-UHFFFAOYSA-N
XLogP4.39
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile (CID 65040586) is 2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile is CCn1c(-c2cc(Cl)ccc2F)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile?
The InChIKey is ZRSCJOCJLLIUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3/c1-2-21-15-6-3-10(9-19)7-14(15)20-16(21)12-8-11(17)4-5-13(12)18/h3-8H,2H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile?
2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile has a molecular weight of 299.74 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65040586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).