1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile

C17H21N3 — CID 66478269

IUPAC1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile
SMILESCCn1c(C2C(C)(C)C2(C)C)nc2cc(C#N)ccc21
InChIInChI=1S/C17H21N3/c1-6-20-13-8-7-11(10-18)9-12(13)19-15(20)14-16(2,3)17(14,4)5/h7-9,14H,6H2,1-5H3
InChIKeyUDRJKDBWAODSJO-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.08
Rot. Bonds2

About 1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile

1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile (PubChem CID 66478269) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile
PubChem CID66478269
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile
SMILESCCn1c(C2C(C)(C)C2(C)C)nc2cc(C#N)ccc21
InChIInChI=1S/C17H21N3/c1-6-20-13-8-7-11(10-18)9-12(13)19-15(20)14-16(2,3)17(14,4)5/h7-9,14H,6H2,1-5H3
InChIKeyUDRJKDBWAODSJO-UHFFFAOYSA-N
XLogP4.08
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040296
2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile
CID 107003447
2-(1,4-dioxan-2-yl)-1-ethylbenzimidazole-5-carbonitrile
CID 65035535
1-ethyl-2-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040248
2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
CID 107003451
2-butyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040583
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
2-(3,5-difluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040108
1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile
CID 102922935
2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
CID 65040307
1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile
CID 65040344

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile (CID 66478269) is 1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile is CCn1c(C2C(C)(C)C2(C)C)nc2cc(C#N)ccc21.
What is the InChIKey of 1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile?
The InChIKey is UDRJKDBWAODSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-6-20-13-8-7-11(10-18)9-12(13)19-15(20)14-16(2,3)17(14,4)5/h7-9,14H,6H2,1-5H3.
What are the key properties of 1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile?
1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile has a molecular weight of 267.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 66478269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).