2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile

C16H20N4 — CID 104718816

IUPAC2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
SMILESCCC1CCC(n2c(N)nc3c(C#N)cccc32)CC1
InChIInChI=1S/C16H20N4/c1-2-11-6-8-13(9-7-11)20-14-5-3-4-12(10-17)15(14)19-16(20)18/h3-5,11,13H,2,6-9H2,1H3,(H2,18,19)
InChIKeySARUWMZADKMOMJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.63
Rot. Bonds2

About 2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile

2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile (PubChem CID 104718816) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
PubChem CID104718816
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
SMILESCCC1CCC(n2c(N)nc3c(C#N)cccc32)CC1
InChIInChI=1S/C16H20N4/c1-2-11-6-8-13(9-7-11)20-14-5-3-4-12(10-17)15(14)19-16(20)18/h3-5,11,13H,2,6-9H2,1H3,(H2,18,19)
InChIKeySARUWMZADKMOMJ-UHFFFAOYSA-N
XLogP3.63
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile (CID 104718816) is 2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile is CCC1CCC(n2c(N)nc3c(C#N)cccc32)CC1.
What is the InChIKey of 2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile?
The InChIKey is SARUWMZADKMOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-11-6-8-13(9-7-11)20-14-5-3-4-12(10-17)15(14)19-16(20)18/h3-5,11,13H,2,6-9H2,1H3,(H2,18,19).
What are the key properties of 2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile?
2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).