2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile

C17H16N4 — CID 63640861

IUPAC2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile
SMILESCc1cc(-n2c(CC#N)nc3ccccc32)ccc1CN
InChIInChI=1S/C17H16N4/c1-12-10-14(7-6-13(12)11-19)21-16-5-3-2-4-15(16)20-17(21)8-9-18/h2-7,10H,8,11,19H2,1H3
InChIKeyNQTYNYBCSILVTE-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.86
Rot. Bonds3

About 2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile

2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile (PubChem CID 63640861) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile
PubChem CID63640861
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile
SMILESCc1cc(-n2c(CC#N)nc3ccccc32)ccc1CN
InChIInChI=1S/C17H16N4/c1-12-10-14(7-6-13(12)11-19)21-16-5-3-2-4-15(16)20-17(21)8-9-18/h2-7,10H,8,11,19H2,1H3
InChIKeyNQTYNYBCSILVTE-UHFFFAOYSA-N
XLogP2.86
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
CID 63641531
2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile
CID 80639228
2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methylbenzonitrile
CID 107107391
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-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole
CID 29075929
2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile
CID 65208570
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-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile
CID 63637394
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile (CID 63640861) is 2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile is Cc1cc(-n2c(CC#N)nc3ccccc32)ccc1CN.
What is the InChIKey of 2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile?
The InChIKey is NQTYNYBCSILVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-12-10-14(7-6-13(12)11-19)21-16-5-3-2-4-15(16)20-17(21)8-9-18/h2-7,10H,8,11,19H2,1H3.
What are the key properties of 2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile?
2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile has a molecular weight of 276.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 63640861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).