benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride

C16H13ClN4 — CID 23656283

IUPACbenzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc2ccc3nc4ccccc4n3c2c1
InChIInChI=1S/C16H12N4.ClH/c17-16(18)11-6-5-10-7-8-15-19-12-3-1-2-4-13(12)20(15)14(10)9-11;/h1-9H,(H3,17,18);1H
InChIKeyOFHMDQLBLZCBIL-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.35
Rot. Bonds1

About benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride

benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride (PubChem CID 23656283) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Namebenzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride
PubChem CID23656283
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Namebenzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc2ccc3nc4ccccc4n3c2c1
InChIInChI=1S/C16H12N4.ClH/c17-16(18)11-6-5-10-7-8-15-19-12-3-1-2-4-13(12)20(15)14(10)9-11;/h1-9H,(H3,17,18);1H
InChIKeyOFHMDQLBLZCBIL-UHFFFAOYSA-N
XLogP3.35
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride?
The IUPAC name of benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride (CID 23656283) is benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride.
What is the SMILES notation for benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride?
The canonical SMILES for benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc2ccc3nc4ccccc4n3c2c1.
What is the InChIKey of benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride?
The InChIKey is OFHMDQLBLZCBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4.ClH/c17-16(18)11-6-5-10-7-8-15-19-12-3-1-2-4-13(12)20(15)14(10)9-11;/h1-9H,(H3,17,18);1H.
What are the key properties of benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride?
benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride has a molecular weight of 296.76 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazolo[1,2-a]quinoline-2-carboximidamide;hydrochloride is sourced from PubChem (CID 23656283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).