2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile

C15H11FN4 — CID 63638967

IUPAC2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1-c1cccc(F)c1N
InChIInChI=1S/C15H11FN4/c16-10-4-3-7-13(15(10)18)20-12-6-2-1-5-11(12)19-14(20)8-9-17/h1-7H,8,18H2
InChIKeyIPNGKYJNPYRICG-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.81
Rot. Bonds2

About 2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile

2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile (PubChem CID 63638967) has the molecular formula C15H11FN4 and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile
PubChem CID63638967
Molecular FormulaC15H11FN4
Molecular Weight266.28 g/mol
Exact Mass266.10
IUPAC Name2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1-c1cccc(F)c1N
InChIInChI=1S/C15H11FN4/c16-10-4-3-7-13(15(10)18)20-12-6-2-1-5-11(12)19-14(20)8-9-17/h1-7H,8,18H2
InChIKeyIPNGKYJNPYRICG-UHFFFAOYSA-N
XLogP2.81
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.81
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-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile
CID 66079431
2-[1-[4-(aminomethyl)-2-fluorophenyl]benzimidazol-2-yl]acetonitrile
CID 63640512
2-[1-(2-amino-5-chlorophenyl)benzimidazol-2-yl]acetonitrile
CID 115469201
2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
CID 63641531
3-amino-4-[2-(cyanomethyl)benzimidazol-1-yl]benzonitrile
CID 63641017
3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile
CID 103469387
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914
2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzimidazol-2-yl]acetonitrile
CID 107305990
2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methylbenzonitrile
CID 107107391
2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile
CID 65208570
2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile
CID 83062998
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107602854

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile (CID 63638967) is 2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile is N#CCc1nc2ccccc2n1-c1cccc(F)c1N.
What is the InChIKey of 2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile?
The InChIKey is IPNGKYJNPYRICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4/c16-10-4-3-7-13(15(10)18)20-12-6-2-1-5-11(12)19-14(20)8-9-17/h1-7H,8,18H2.
What are the key properties of 2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile?
2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile has a molecular weight of 266.28 g/mol, XLogP of 2.81, 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-3-fluorophenyl)benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 63638967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).