2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile

C17H21N3 — CID 107003451

IUPAC2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
SMILESCC(C)Cn1c(C2CC2(C)C)nc2cc(C#N)ccc21
InChIInChI=1S/C17H21N3/c1-11(2)10-20-15-6-5-12(9-18)7-14(15)19-16(20)13-8-17(13,3)4/h5-7,11,13H,8,10H2,1-4H3
InChIKeyPNXIQBWIAIVAEC-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.08
Rot. Bonds3

About 2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile

2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile (PubChem CID 107003451) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
PubChem CID107003451
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
SMILESCC(C)Cn1c(C2CC2(C)C)nc2cc(C#N)ccc21
InChIInChI=1S/C17H21N3/c1-11(2)10-20-15-6-5-12(9-18)7-14(15)19-16(20)13-8-17(13,3)4/h5-7,11,13H,8,10H2,1-4H3
InChIKeyPNXIQBWIAIVAEC-UHFFFAOYSA-N
XLogP4.08
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile
CID 107003447
1-(2-methylpropyl)-2-(thiolan-3-yl)benzimidazole-5-carbonitrile
CID 65040284
1,2-bis(2-methylpropyl)benzimidazole-5-carbonitrile
CID 65040568
1-(2-methylpropyl)-2-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941814
1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile
CID 66478269
1-(2-methylpropyl)-2-(oxolan-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65159654
2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
CID 65040523
2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 68764810
1-(2-methylpropyl)-2-(thiophen-3-ylmethyl)benzimidazole-5-carbonitrile
CID 65040709
1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile
CID 65040190
1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65040473
2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040296

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile (CID 107003451) is 2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile is CC(C)Cn1c(C2CC2(C)C)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile?
The InChIKey is PNXIQBWIAIVAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-11(2)10-20-15-6-5-12(9-18)7-14(15)19-16(20)13-8-17(13,3)4/h5-7,11,13H,8,10H2,1-4H3.
What are the key properties of 2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile?
2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile has a molecular weight of 267.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 107003451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).