5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride

C12H13Cl3N4O — CID 67661932

IUPAC5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
SMILESC/N=C(\NC)NC(=O)c1cc2cc(Cl)cc(Cl)c2[nH]1.Cl
InChIInChI=1S/C12H12Cl2N4O.ClH/c1-15-12(16-2)18-11(19)9-4-6-3-7(13)5-8(14)10(6)17-9;/h3-5,17H,1-2H3,(H2,15,16,18,19);1H
InChIKeySOGNGQOMOVFXGK-UHFFFAOYSA-N
MW335.62 g/mol
LogP2.83
Rot. Bonds1

About 5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride

5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride (PubChem CID 67661932) has the molecular formula C12H13Cl3N4O and a molecular weight of 335.62 g/mol. Its IUPAC name is 5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
PubChem CID67661932
Molecular FormulaC12H13Cl3N4O
Molecular Weight335.62 g/mol
Exact Mass334.02
IUPAC Name5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
SMILESC/N=C(\NC)NC(=O)c1cc2cc(Cl)cc(Cl)c2[nH]1.Cl
InChIInChI=1S/C12H12Cl2N4O.ClH/c1-15-12(16-2)18-11(19)9-4-6-3-7(13)5-8(14)10(6)17-9;/h3-5,17H,1-2H3,(H2,15,16,18,19);1H
InChIKeySOGNGQOMOVFXGK-UHFFFAOYSA-N
XLogP2.83
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.62
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of 5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride (CID 67661932) is 5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for 5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride is C/N=C(\NC)NC(=O)c1cc2cc(Cl)cc(Cl)c2[nH]1.Cl.
What is the InChIKey of 5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is SOGNGQOMOVFXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O.ClH/c1-15-12(16-2)18-11(19)9-4-6-3-7(13)5-8(14)10(6)17-9;/h3-5,17H,1-2H3,(H2,15,16,18,19);1H.
What are the key properties of 5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride?
5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 335.62 g/mol, XLogP of 2.83, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-(N,N'-dimethylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 67661932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).