4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride

C17H20Cl2N4 — CID 24846159

IUPAC4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(/C=C\c2ccc(/C(N)=N/[H])cc2C)cc1
InChIInChI=1S/C17H18N4.2ClH/c1-11-10-15(17(20)21)9-8-13(11)5-2-12-3-6-14(7-4-12)16(18)19;;/h2-10H,1H3,(H3,18,19)(H3,20,21);2*1H/b5-2-;;
InChIKeySDWLAFMZVSVSIF-JIIDDASXSA-N
MW351.28 g/mol
LogP3.58
Rot. Bonds4

About 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride

4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride (PubChem CID 24846159) has the molecular formula C17H20Cl2N4 and a molecular weight of 351.28 g/mol. Its IUPAC name is 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound Name4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride
PubChem CID24846159
Molecular FormulaC17H20Cl2N4
Molecular Weight351.28 g/mol
Exact Mass350.11
IUPAC Name4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(/C=C\c2ccc(/C(N)=N/[H])cc2C)cc1
InChIInChI=1S/C17H18N4.2ClH/c1-11-10-15(17(20)21)9-8-13(11)5-2-12-3-6-14(7-4-12)16(18)19;;/h2-10H,1H3,(H3,18,19)(H3,20,21);2*1H/b5-2-;;
InChIKeySDWLAFMZVSVSIF-JIIDDASXSA-N
XLogP3.58
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
CID 24846143
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide
CID 135923501
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid)
CID 6433163
4-(3-chloroprop-1-enyl)benzenecarboximidamide
CID 169477282
3-(4-carbamimidoylphenyl)prop-2-enoic acid
CID 54071755
4-hydroxy-3-prop-1-enylbenzenecarboximidamide
CID 141032250
4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide
CID 142087834
2-[(E)-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethenyl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
CID 6918212
3-(diethylamino)-4-methylbenzenecarboximidamide
CID 173214309
3-methyl-4-propan-2-yloxybenzenecarboximidamide
CID 60929364
3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide
CID 141318088

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride?
The IUPAC name of 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride (CID 24846159) is 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride.
What is the SMILES notation for 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride?
The canonical SMILES for 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1ccc(/C=C\c2ccc(/C(N)=N/[H])cc2C)cc1.
What is the InChIKey of 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride?
The InChIKey is SDWLAFMZVSVSIF-JIIDDASXSA-N. The full InChI is InChI=1S/C17H18N4.2ClH/c1-11-10-15(17(20)21)9-8-13(11)5-2-12-3-6-14(7-4-12)16(18)19;;/h2-10H,1H3,(H3,18,19)(H3,20,21);2*1H/b5-2-;;.
What are the key properties of 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride?
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride has a molecular weight of 351.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 24846159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).