2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile

C16H20N4 — CID 104719031

IUPAC2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile
SMILESCCC1CCC(n2c(N)nc3c(C#N)cccc32)C1C
InChIInChI=1S/C16H20N4/c1-3-11-7-8-13(10(11)2)20-14-6-4-5-12(9-17)15(14)19-16(20)18/h4-6,10-11,13H,3,7-8H2,1-2H3,(H2,18,19)
InChIKeyIXAKMMRIEBTKIE-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.49
Rot. Bonds2

About 2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile

2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile (PubChem CID 104719031) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile
PubChem CID104719031
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile
SMILESCCC1CCC(n2c(N)nc3c(C#N)cccc32)C1C
InChIInChI=1S/C16H20N4/c1-3-11-7-8-13(10(11)2)20-14-6-4-5-12(9-17)15(14)19-16(20)18/h4-6,10-11,13H,3,7-8H2,1-2H3,(H2,18,19)
InChIKeyIXAKMMRIEBTKIE-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile
CID 104718943
2-amino-1-(2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104718975
2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
CID 104718816
2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile
CID 104718653
5-bromo-1-(3-ethyl-2-methylcyclopentyl)benzimidazol-2-amine
CID 64915829
2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile
CID 104718799
4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
CID 104838303
2-(chloromethyl)-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
CID 104719479
2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile
CID 104718640
2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile
CID 104719006
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009
2-(1-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile
CID 104719632

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile (CID 104719031) is 2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile is CCC1CCC(n2c(N)nc3c(C#N)cccc32)C1C.
What is the InChIKey of 2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile?
The InChIKey is IXAKMMRIEBTKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-11-7-8-13(10(11)2)20-14-6-4-5-12(9-17)15(14)19-16(20)18/h4-6,10-11,13H,3,7-8H2,1-2H3,(H2,18,19).
What are the key properties of 2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile?
2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104719031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).