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

C14H16N4O — CID 104718653

IUPAC2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2C1CCC(O)CC1
InChIInChI=1S/C14H16N4O/c15-8-9-2-1-3-12-13(9)17-14(16)18(12)10-4-6-11(19)7-5-10/h1-3,10-11,19H,4-7H2,(H2,16,17)
InChIKeyLSPHKNQDZMCGCF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.97
Rot. Bonds1

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

2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile (PubChem CID 104718653) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile
PubChem CID104718653
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2C1CCC(O)CC1
InChIInChI=1S/C14H16N4O/c15-8-9-2-1-3-12-13(9)17-14(16)18(12)10-4-6-11(19)7-5-10/h1-3,10-11,19H,4-7H2,(H2,16,17)
InChIKeyLSPHKNQDZMCGCF-UHFFFAOYSA-N
XLogP1.97
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
CID 104718816
2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile
CID 104718943
2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile
CID 104718799
2-amino-1-(2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104718975
4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine
CID 84776913
2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104719031
2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile
CID 104719006
2-(chloromethyl)-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
CID 104719479
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009
2-amino-1-(oxolan-3-ylmethyl)benzimidazole-4-carbonitrile
CID 113445020
2-(2-chloroethyl)-1-cyclobutylbenzimidazole-4-carbonitrile
CID 113445072
2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 104719136

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile (CID 104718653) is 2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile is N#Cc1cccc2c1nc(N)n2C1CCC(O)CC1.
What is the InChIKey of 2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile?
The InChIKey is LSPHKNQDZMCGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-8-9-2-1-3-12-13(9)17-14(16)18(12)10-4-6-11(19)7-5-10/h1-3,10-11,19H,4-7H2,(H2,16,17).
What are the key properties of 2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile?
2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).