2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine

C17H25N3O — CID 82068290

IUPAC2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine
SMILESCOCn1c(CCC2CCCCC2)nc2c(N)cccc21
InChIInChI=1S/C17H25N3O/c1-21-12-20-15-9-5-8-14(18)17(15)19-16(20)11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12,18H2,1H3
InChIKeyVYOKVTXFLIDXSU-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.74
Rot. Bonds5

About 2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine

2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine (PubChem CID 82068290) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine
PubChem CID82068290
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine
SMILESCOCn1c(CCC2CCCCC2)nc2c(N)cccc21
InChIInChI=1S/C17H25N3O/c1-21-12-20-15-9-5-8-14(18)17(15)19-16(20)11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12,18H2,1H3
InChIKeyVYOKVTXFLIDXSU-UHFFFAOYSA-N
XLogP3.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine?
The IUPAC name of 2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine (CID 82068290) is 2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine.
What is the SMILES notation for 2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine?
The canonical SMILES for 2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine is COCn1c(CCC2CCCCC2)nc2c(N)cccc21.
What is the InChIKey of 2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine?
The InChIKey is VYOKVTXFLIDXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-21-12-20-15-9-5-8-14(18)17(15)19-16(20)11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12,18H2,1H3.
What are the key properties of 2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine?
2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine is sourced from PubChem (CID 82068290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).