2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile

C15H10ClFN4 — CID 66079431

IUPAC2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1-c1cc(F)c(Cl)cc1N
InChIInChI=1S/C15H10ClFN4/c16-9-7-11(19)14(8-10(9)17)21-13-4-2-1-3-12(13)20-15(21)5-6-18/h1-4,7-8H,5,19H2
InChIKeyOLNKSRRUFYHNJE-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.47
Rot. Bonds2

About 2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile

2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile (PubChem CID 66079431) has the molecular formula C15H10ClFN4 and a molecular weight of 300.72 g/mol. Its IUPAC name is 2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile
PubChem CID66079431
Molecular FormulaC15H10ClFN4
Molecular Weight300.72 g/mol
Exact Mass300.06
IUPAC Name2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1-c1cc(F)c(Cl)cc1N
InChIInChI=1S/C15H10ClFN4/c16-9-7-11(19)14(8-10(9)17)21-13-4-2-1-3-12(13)20-15(21)5-6-18/h1-4,7-8H,5,19H2
InChIKeyOLNKSRRUFYHNJE-UHFFFAOYSA-N
XLogP3.47
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-amino-5-chlorophenyl)benzimidazol-2-yl]acetonitrile
CID 115469201
2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile
CID 63638967
3-amino-4-[2-(cyanomethyl)benzimidazol-1-yl]benzonitrile
CID 63641017
2-[1-[4-(aminomethyl)-2-fluorophenyl]benzimidazol-2-yl]acetonitrile
CID 63640512
2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
CID 63641531
3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile
CID 103469387
2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine
CID 96668272
2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile
CID 63640861
2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile
CID 83062998
2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile
CID 65208570
2-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 139624260
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile (CID 66079431) is 2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile is N#CCc1nc2ccccc2n1-c1cc(F)c(Cl)cc1N.
What is the InChIKey of 2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile?
The InChIKey is OLNKSRRUFYHNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4/c16-9-7-11(19)14(8-10(9)17)21-13-4-2-1-3-12(13)20-15(21)5-6-18/h1-4,7-8H,5,19H2.
What are the key properties of 2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile?
2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile has a molecular weight of 300.72 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 66079431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).