N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride

C19H23ClN4O3S — CID 120722140

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride (PubChem CID 120722140) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride.

Molecular Properties

• Compound Name: N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
• PubChem CID: 120722140
• Molecular Formula: C19H23ClN4O3S
• Molecular Weight: 422.94 g/mol
• Exact Mass: 422.12
• IUPAC Name: N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
• SMILES: Cl.Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCCc4cc(N)ccc43)ccc21
• InChI: InChI=1S/C19H22N4O3S.ClH/c1-22-17-9-7-14(11-18(17)23(2)19(22)24)27(25,26)21-16-5-3-4-12-10-13(20)6-8-15(12)16;/h6-11,16,21H,3-5,20H2,1-2H3;1H
• InChIKey: BCPQXEHOZZIQAB-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 99.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.94
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride?

The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride (CID 120722140) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride.

What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride?

The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride is Cl.Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCCc4cc(N)ccc43)ccc21.

What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride?

The InChIKey is BCPQXEHOZZIQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S.ClH/c1-22-17-9-7-14(11-18(17)23(2)19(22)24)27(25,26)21-16-5-3-4-12-10-13(20)6-8-15(12)16;/h6-11,16,21H,3-5,20H2,1-2H3;1H.

What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride?

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride has a molecular weight of 422.94 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120722140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).