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

C17H23N3 — CID 65040344

IUPAC1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile
SMILESCCn1c(CC(C)C(C)(C)C)nc2cc(C#N)ccc21
InChIInChI=1S/C17H23N3/c1-6-20-15-8-7-13(11-18)10-14(15)19-16(20)9-12(2)17(3,4)5/h7-8,10,12H,6,9H2,1-5H3
InChIKeyVWWAULONXWYLDR-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.15
Rot. Bonds3

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

1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile (PubChem CID 65040344) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile
PubChem CID65040344
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile
SMILESCCn1c(CC(C)C(C)(C)C)nc2cc(C#N)ccc21
InChIInChI=1S/C17H23N3/c1-6-20-15-8-7-13(11-18)10-14(15)19-16(20)9-12(2)17(3,4)5/h7-8,10,12H,6,9H2,1-5H3
InChIKeyVWWAULONXWYLDR-UHFFFAOYSA-N
XLogP4.15
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis(2-methylpropyl)benzimidazole-5-carbonitrile
CID 65040568
2-butyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040583
1-ethyl-2-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040248
2-(2-chloroethyl)-3-ethylbenzimidazole-5-carbonitrile
CID 104715267
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-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941814
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
1-ethyl-2-(2,2,3,3-tetramethylcyclopropyl)benzimidazole-5-carbonitrile
CID 66478269
1-ethyl-2-[2-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 65159499
1-chloro-2-ethylbenzimidazole-5-carbonitrile
CID 141051765
1-methyl-2-(2,2,2-trifluoroethyl)benzimidazole-5-carbonitrile
CID 65035685

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile (CID 65040344) is 1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile is CCn1c(CC(C)C(C)(C)C)nc2cc(C#N)ccc21.
What is the InChIKey of 1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile?
The InChIKey is VWWAULONXWYLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-6-20-15-8-7-13(11-18)10-14(15)19-16(20)9-12(2)17(3,4)5/h7-8,10,12H,6,9H2,1-5H3.
What are the key properties of 1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile?
1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile has a molecular weight of 269.39 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 65040344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).