5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile

C18H24N4 — CID 90954710

IUPAC5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile
SMILESCN(C)CCn1c(C#N)nc2cc(C3CCCCC3)ccc21
InChIInChI=1S/C18H24N4/c1-21(2)10-11-22-17-9-8-15(14-6-4-3-5-7-14)12-16(17)20-18(22)13-19/h8-9,12,14H,3-7,10-11H2,1-2H3
InChIKeyVUCDXYUMEXWOMG-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.52
Rot. Bonds4

About 5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile

5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile (PubChem CID 90954710) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile.

Molecular Properties

Compound Name5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile
PubChem CID90954710
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile
SMILESCN(C)CCn1c(C#N)nc2cc(C3CCCCC3)ccc21
InChIInChI=1S/C18H24N4/c1-21(2)10-11-22-17-9-8-15(14-6-4-3-5-7-14)12-16(17)20-18(22)13-19/h8-9,12,14H,3-7,10-11H2,1-2H3
InChIKeyVUCDXYUMEXWOMG-UHFFFAOYSA-N
XLogP3.52
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile?
The IUPAC name of 5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile (CID 90954710) is 5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile.
What is the SMILES notation for 5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile?
The canonical SMILES for 5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile is CN(C)CCn1c(C#N)nc2cc(C3CCCCC3)ccc21.
What is the InChIKey of 5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile?
The InChIKey is VUCDXYUMEXWOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-21(2)10-11-22-17-9-8-15(14-6-4-3-5-7-14)12-16(17)20-18(22)13-19/h8-9,12,14H,3-7,10-11H2,1-2H3.
What are the key properties of 5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile?
5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile has a molecular weight of 296.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-[2-(dimethylamino)ethyl]benzimidazole-2-carbonitrile is sourced from PubChem (CID 90954710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).