2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile

C15H12N4 — CID 63641531

IUPAC2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1-c1ccc(N)cc1
InChIInChI=1S/C15H12N4/c16-10-9-15-18-13-3-1-2-4-14(13)19(15)12-7-5-11(17)6-8-12/h1-8H,9,17H2
InChIKeyKFOPWFFJXMMGGN-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.67
Rot. Bonds2

About 2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile

2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile (PubChem CID 63641531) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
PubChem CID63641531
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1-c1ccc(N)cc1
InChIInChI=1S/C15H12N4/c16-10-9-15-18-13-3-1-2-4-14(13)19(15)12-7-5-11(17)6-8-12/h1-8H,9,17H2
InChIKeyKFOPWFFJXMMGGN-UHFFFAOYSA-N
XLogP2.67
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile
CID 63640861
2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile
CID 63638967
3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile
CID 103469387
3-amino-4-[2-(cyanomethyl)benzimidazol-1-yl]benzonitrile
CID 63641017
2-[1-(2-amino-5-chlorophenyl)benzimidazol-2-yl]acetonitrile
CID 115469201
2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile
CID 66079431
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-[1-[4-(aminomethyl)-2-fluorophenyl]benzimidazol-2-yl]acetonitrile
CID 63640512
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methylbenzonitrile
CID 107107391
2-[1-[2-(4-aminopyrazol-1-yl)ethyl]benzimidazol-2-yl]acetonitrile
CID 63641020

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile (CID 63641531) is 2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile is N#CCc1nc2ccccc2n1-c1ccc(N)cc1.
What is the InChIKey of 2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile?
The InChIKey is KFOPWFFJXMMGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c16-10-9-15-18-13-3-1-2-4-14(13)19(15)12-7-5-11(17)6-8-12/h1-8H,9,17H2.
What are the key properties of 2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile?
2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 63641531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).