5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride

C11H16ClN3O — CID 2983395

IUPAC5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride
SMILESCCn1c(=O)n(CC)c2cc(N)ccc21.Cl
InChIInChI=1S/C11H15N3O.ClH/c1-3-13-9-6-5-8(12)7-10(9)14(4-2)11(13)15;/h5-7H,3-4,12H2,1-2H3;1H
InChIKeyYLXUIVOFLBGAEX-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.85
Rot. Bonds2

About 5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride

5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride (PubChem CID 2983395) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride
PubChem CID2983395
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride
SMILESCCn1c(=O)n(CC)c2cc(N)ccc21.Cl
InChIInChI=1S/C11H15N3O.ClH/c1-3-13-9-6-5-8(12)7-10(9)14(4-2)11(13)15;/h5-7H,3-4,12H2,1-2H3;1H
InChIKeyYLXUIVOFLBGAEX-UHFFFAOYSA-N
XLogP1.85
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.85
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 5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride?
The IUPAC name of 5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride (CID 2983395) is 5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride is CCn1c(=O)n(CC)c2cc(N)ccc21.Cl.
What is the InChIKey of 5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride?
The InChIKey is YLXUIVOFLBGAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c1-3-13-9-6-5-8(12)7-10(9)14(4-2)11(13)15;/h5-7H,3-4,12H2,1-2H3;1H.
What are the key properties of 5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride?
5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-diethylbenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 2983395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).