2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine

C17H25N3O — CID 83209762

IUPAC2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCCn1c(C2(C)CCCCC2N)nc2cc(OC)ccc21
InChIInChI=1S/C17H25N3O/c1-4-20-14-9-8-12(21-3)11-13(14)19-16(20)17(2)10-6-5-7-15(17)18/h8-9,11,15H,4-7,10,18H2,1-3H3
InChIKeyVHEMAZHOHNYVOA-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.22
Rot. Bonds3

About 2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine

2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine (PubChem CID 83209762) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine
PubChem CID83209762
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCCn1c(C2(C)CCCCC2N)nc2cc(OC)ccc21
InChIInChI=1S/C17H25N3O/c1-4-20-14-9-8-12(21-3)11-13(14)19-16(20)17(2)10-6-5-7-15(17)18/h8-9,11,15H,4-7,10,18H2,1-3H3
InChIKeyVHEMAZHOHNYVOA-UHFFFAOYSA-N
XLogP3.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
The IUPAC name of 2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine (CID 83209762) is 2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine is CCn1c(C2(C)CCCCC2N)nc2cc(OC)ccc21.
What is the InChIKey of 2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
The InChIKey is VHEMAZHOHNYVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-20-14-9-8-12(21-3)11-13(14)19-16(20)17(2)10-6-5-7-15(17)18/h8-9,11,15H,4-7,10,18H2,1-3H3.
What are the key properties of 2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine?
2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 83209762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).