2-(benzenecarboximidoyl)benzene-1,4-diamine

C13H13N3 — CID 142270797

IUPAC2-(benzenecarboximidoyl)benzene-1,4-diamine
SMILES[H]/N=C(\c1ccccc1)c1cc(N)ccc1N
InChIInChI=1S/C13H13N3/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,16H,14-15H2/b16-13+
InChIKeyRVWRJONILCPOFM-DTQAZKPQSA-N
MW211.27 g/mol
LogP2.27
Rot. Bonds2

About 2-(benzenecarboximidoyl)benzene-1,4-diamine

2-(benzenecarboximidoyl)benzene-1,4-diamine (PubChem CID 142270797) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-(benzenecarboximidoyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(benzenecarboximidoyl)benzene-1,4-diamine
PubChem CID142270797
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-(benzenecarboximidoyl)benzene-1,4-diamine
SMILES[H]/N=C(\c1ccccc1)c1cc(N)ccc1N
InChIInChI=1S/C13H13N3/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,16H,14-15H2/b16-13+
InChIKeyRVWRJONILCPOFM-DTQAZKPQSA-N
XLogP2.27
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
CID 155482417
2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine
CID 155481805
4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine
CID 163940472
2-(benzenecarboximidoyl)-4-N-(3-phenylphenyl)sulfanylbenzene-1,4-diamine
CID 142806416
2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine
CID 155482379
2-(4-fluorobenzenecarboximidoyl)aniline
CID 86616565
4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine
CID 144529735
2-(benzenecarboximidoyl)benzenecarbothioamide
CID 87473973
3-(3-phenylbenzenecarboximidoyl)aniline
CID 145441675
3-[4-amino-3-(benzenecarboximidoyl)anilino]sulfanylbenzonitrile
CID 142806450
[4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium
CID 166551378
3-(4-aminobenzenecarboximidoyl)benzoic acid
CID 174991264

Frequently Asked Questions

What is the IUPAC name of 2-(benzenecarboximidoyl)benzene-1,4-diamine?
The IUPAC name of 2-(benzenecarboximidoyl)benzene-1,4-diamine (CID 142270797) is 2-(benzenecarboximidoyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(benzenecarboximidoyl)benzene-1,4-diamine?
The canonical SMILES for 2-(benzenecarboximidoyl)benzene-1,4-diamine is [H]/N=C(\c1ccccc1)c1cc(N)ccc1N.
What is the InChIKey of 2-(benzenecarboximidoyl)benzene-1,4-diamine?
The InChIKey is RVWRJONILCPOFM-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H13N3/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,16H,14-15H2/b16-13+.
What are the key properties of 2-(benzenecarboximidoyl)benzene-1,4-diamine?
2-(benzenecarboximidoyl)benzene-1,4-diamine has a molecular weight of 211.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenecarboximidoyl)benzene-1,4-diamine is sourced from PubChem (CID 142270797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).