2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile

C17H15N3 — CID 104720510

IUPAC2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile
SMILESCC(C)(c1ccccc1)c1nc2c(C#N)cccc2[nH]1
InChIInChI=1S/C17H15N3/c1-17(2,13-8-4-3-5-9-13)16-19-14-10-6-7-12(11-18)15(14)20-16/h3-10H,1-2H3,(H,19,20)
InChIKeyOVBYUPNFKILQJQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.76
Rot. Bonds2

About 2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile

2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile (PubChem CID 104720510) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile
PubChem CID104720510
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile
SMILESCC(C)(c1ccccc1)c1nc2c(C#N)cccc2[nH]1
InChIInChI=1S/C17H15N3/c1-17(2,13-8-4-3-5-9-13)16-19-14-10-6-7-12(11-18)15(14)20-16/h3-10H,1-2H3,(H,19,20)
InChIKeyOVBYUPNFKILQJQ-UHFFFAOYSA-N
XLogP3.76
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1H-benzimidazole-4-carbonitrile
CID 83412719
2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile
CID 170579962
2-[(2-methylphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634504
2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile
CID 104720469
2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile
CID 104720448
2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile
CID 104720600
2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile
CID 104720555
2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720674
2-(2,5-dimethylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720542
2-[2-(2-chlorophenyl)ethylamino]-1H-benzimidazole-4-carbonitrile
CID 172634449
2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile
CID 104720365
2-(5-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720685

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile (CID 104720510) is 2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile is CC(C)(c1ccccc1)c1nc2c(C#N)cccc2[nH]1.
What is the InChIKey of 2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile?
The InChIKey is OVBYUPNFKILQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-17(2,13-8-4-3-5-9-13)16-19-14-10-6-7-12(11-18)15(14)20-16/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile?
2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).