2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine

C17H25N3 — CID 64742442

IUPAC2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C1CCCC(CC)C1
InChIInChI=1S/C17H25N3/c1-3-12-6-5-7-14(10-12)20-16-9-8-13(18)11-15(16)19-17(20)4-2/h8-9,11-12,14H,3-7,10,18H2,1-2H3
InChIKeyBHPDXTSDUPITRY-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.32
Rot. Bonds3

About 2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine

2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine (PubChem CID 64742442) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine
PubChem CID64742442
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C1CCCC(CC)C1
InChIInChI=1S/C17H25N3/c1-3-12-6-5-7-14(10-12)20-16-9-8-13(18)11-15(16)19-17(20)4-2/h8-9,11-12,14H,3-7,10,18H2,1-2H3
InChIKeyBHPDXTSDUPITRY-UHFFFAOYSA-N
XLogP4.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine (CID 64742442) is 2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1C1CCCC(CC)C1.
What is the InChIKey of 2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine?
The InChIKey is BHPDXTSDUPITRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-12-6-5-7-14(10-12)20-16-9-8-13(18)11-15(16)19-17(20)4-2/h8-9,11-12,14H,3-7,10,18H2,1-2H3.
What are the key properties of 2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine?
2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine has a molecular weight of 271.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine is sourced from PubChem (CID 64742442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).