benzenecarboximidamide;hydron;chloride

C7H9ClN2 — CID 66824376

IUPACbenzenecarboximidamide;hydron;chloride
SMILES[Cl-].[H+].[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H
InChIKeyLZCZIHQBSCVGRD-UHFFFAOYSA-N
MW156.62 g/mol
LogP-1.91
Rot. Bonds1

About benzenecarboximidamide;hydron;chloride

benzenecarboximidamide;hydron;chloride (PubChem CID 66824376) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is benzenecarboximidamide;hydron;chloride.

Molecular Properties

Compound Namebenzenecarboximidamide;hydron;chloride
PubChem CID66824376
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Namebenzenecarboximidamide;hydron;chloride
SMILES[Cl-].[H+].[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H
InChIKeyLZCZIHQBSCVGRD-UHFFFAOYSA-N
XLogP-1.91
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethane;4-phenylbenzenecarboximidamide
CID 91221015
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CID 145327292
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
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CID 141334946
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Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;hydron;chloride?
The IUPAC name of benzenecarboximidamide;hydron;chloride (CID 66824376) is benzenecarboximidamide;hydron;chloride.
What is the SMILES notation for benzenecarboximidamide;hydron;chloride?
The canonical SMILES for benzenecarboximidamide;hydron;chloride is [Cl-].[H+].[H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide;hydron;chloride?
The InChIKey is LZCZIHQBSCVGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H.
What are the key properties of benzenecarboximidamide;hydron;chloride?
benzenecarboximidamide;hydron;chloride has a molecular weight of 156.62 g/mol, XLogP of -1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;hydron;chloride is sourced from PubChem (CID 66824376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).