2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

C24H14Cl6N4O2 — CID 122619215

About 2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 122619215) has the molecular formula C24H14Cl6N4O2 and a molecular weight of 603.12 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
• PubChem CID: 122619215
• Molecular Formula: C24H14Cl6N4O2
• Molecular Weight: 603.12 g/mol
• Exact Mass: 599.92
• IUPAC Name: 2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
• SMILES: O=C(Nc1ccc2nc(Cl)[nH]c2c1)c1cc(NC(=O)[C@@H]2[C@@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C24H14Cl6N4O2/c25-11-5-10(6-12(26)7-11)19-20(24(19,29)30)22(36)32-13-1-3-16(27)15(8-13)21(35)31-14-2-4-17-18(9-14)34-23(28)33-17/h1-9,19-20H,(H,31,35)(H,32,36)(H,33,34)/t19-,20+/m1/s1
• InChIKey: JFEJABTVWLNBAH-UXHICEINSA-N
• XLogP: 7.95
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.12
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?

The IUPAC name of 2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (CID 122619215) is 2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.

What is the SMILES notation for 2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?

The canonical SMILES for 2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is O=C(Nc1ccc2nc(Cl)[nH]c2c1)c1cc(NC(=O)[C@@H]2[C@@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.

What is the InChIKey of 2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?

The InChIKey is JFEJABTVWLNBAH-UXHICEINSA-N. The full InChI is InChI=1S/C24H14Cl6N4O2/c25-11-5-10(6-12(26)7-11)19-20(24(19,29)30)22(36)32-13-1-3-16(27)15(8-13)21(35)31-14-2-4-17-18(9-14)34-23(28)33-17/h1-9,19-20H,(H,31,35)(H,32,36)(H,33,34)/t19-,20+/m1/s1.

What are the key properties of 2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?

2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 603.12 g/mol, XLogP of 7.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(2-chloro-3H-benzimidazol-5-yl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 122619215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).