1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine

C16H23N3 — CID 62506898

IUPAC1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
SMILESCCC1CCC(n2c(C)nc3cc(N)ccc32)CC1
InChIInChI=1S/C16H23N3/c1-3-12-4-7-14(8-5-12)19-11(2)18-15-10-13(17)6-9-16(15)19/h6,9-10,12,14H,3-5,7-8,17H2,1-2H3
InChIKeyDDXPYSFOSNQROK-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.07
Rot. Bonds2

About 1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine

1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine (PubChem CID 62506898) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
PubChem CID62506898
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
SMILESCCC1CCC(n2c(C)nc3cc(N)ccc32)CC1
InChIInChI=1S/C16H23N3/c1-3-12-4-7-14(8-5-12)19-11(2)18-15-10-13(17)6-9-16(15)19/h6,9-10,12,14H,3-5,7-8,17H2,1-2H3
InChIKeyDDXPYSFOSNQROK-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.07
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 1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine (CID 62506898) is 1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine is CCC1CCC(n2c(C)nc3cc(N)ccc32)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine?
The InChIKey is DDXPYSFOSNQROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-12-4-7-14(8-5-12)19-11(2)18-15-10-13(17)6-9-16(15)19/h6,9-10,12,14H,3-5,7-8,17H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine?
1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine has a molecular weight of 257.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 62506898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).