2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile

C9H5ClFN3 — CID 130987533

IUPAC2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile
SMILESN#CCc1nc2c(F)c(Cl)ccc2[nH]1
InChIInChI=1S/C9H5ClFN3/c10-5-1-2-6-9(8(5)11)14-7(13-6)3-4-12/h1-2H,3H2,(H,13,14)
InChIKeyRXSSGYJYAQLHNI-UHFFFAOYSA-N
MW209.61 g/mol
LogP2.42
Rot. Bonds1

About 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile

2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile (PubChem CID 130987533) has the molecular formula C9H5ClFN3 and a molecular weight of 209.61 g/mol. Its IUPAC name is 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile
PubChem CID130987533
Molecular FormulaC9H5ClFN3
Molecular Weight209.61 g/mol
Exact Mass209.02
IUPAC Name2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile
SMILESN#CCc1nc2c(F)c(Cl)ccc2[nH]1
InChIInChI=1S/C9H5ClFN3/c10-5-1-2-6-9(8(5)11)14-7(13-6)3-4-12/h1-2H,3H2,(H,13,14)
InChIKeyRXSSGYJYAQLHNI-UHFFFAOYSA-N
XLogP2.42
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.61
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole
CID 130658186
2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 126972905
2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile
CID 84618582
2-(4-propan-2-yl-1H-benzimidazol-2-yl)acetonitrile
CID 84619630
2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile
CID 64724109
2-(1H-benzimidazol-2-yl)acetonitrile
CID 53446454
2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile
CID 166058695
2-(3-chloro-2,6-difluorophenyl)acetonitrile
CID 2773576
2-(2,4-dichloro-3-fluorophenyl)acetonitrile
CID 119020930
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 114271711
5-chloro-4-fluoro-2-(5-fluoro-2-pyridinyl)-1H-benzimidazole
CID 114271734

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile?
The IUPAC name of 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile (CID 130987533) is 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile is N#CCc1nc2c(F)c(Cl)ccc2[nH]1.
What is the InChIKey of 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile?
The InChIKey is RXSSGYJYAQLHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN3/c10-5-1-2-6-9(8(5)11)14-7(13-6)3-4-12/h1-2H,3H2,(H,13,14).
What are the key properties of 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile?
2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile has a molecular weight of 209.61 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile is sourced from PubChem (CID 130987533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).