2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile

C17H16N4 — CID 104715124

IUPAC2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile
SMILESCc1ccccc1CCn1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C17H16N4/c1-12-4-2-3-5-14(12)8-9-21-16-10-13(11-18)6-7-15(16)20-17(21)19/h2-7,10H,8-9H2,1H3,(H2,19,20)
InChIKeyLRGBHKMCOJUCTL-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.04
Rot. Bonds3

About 2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile

2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile (PubChem CID 104715124) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile
PubChem CID104715124
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile
SMILESCc1ccccc1CCn1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C17H16N4/c1-12-4-2-3-5-14(12)8-9-21-16-10-13(11-18)6-7-15(16)20-17(21)19/h2-7,10H,8-9H2,1H3,(H2,19,20)
InChIKeyLRGBHKMCOJUCTL-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470703
6-fluoro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 79757549
2-amino-3-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 104714701
2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
CID 104719063
2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile
CID 104714857
2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 104715041
methyl 3-(2-amino-6-cyanobenzimidazol-1-yl)propanoate
CID 104714869
2-amino-3-(5-methylhexyl)benzimidazole-5-carbonitrile
CID 104715156
2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile
CID 106035643
2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile
CID 106008067
3-(2-aminobenzimidazol-1-yl)-4-methylbenzonitrile
CID 62104310
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile (CID 104715124) is 2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile is Cc1ccccc1CCn1c(N)nc2ccc(C#N)cc21.
What is the InChIKey of 2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile?
The InChIKey is LRGBHKMCOJUCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-12-4-2-3-5-14(12)8-9-21-16-10-13(11-18)6-7-15(16)20-17(21)19/h2-7,10H,8-9H2,1H3,(H2,19,20).
What are the key properties of 2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile?
2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 104715124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).