3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide

C83H52Cl4F6N14O10 — CID 159344781

IUPAC3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3[nH]2)cc1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C29H18F6N4O2.C27H16Cl4N4O2.C27H18N6O6/c30-28(31,32)19-7-1-17(2-8-19)26(40)36-21-11-5-16(6-12-21)25-38-23-14-13-22(15-24(23)39-25)37-27(41)18-3-9-20(10-4-18)29(33,34)35;28-19-8-3-15(11-21(19)30)26(36)32-17-5-1-14(2-6-17)25-34-23-10-7-18(13-24(23)35-25)33-27(37)16-4-9-20(29)22(31)12-16;34-26(17-3-10-21(11-4-17)32(36)37)28-19-7-1-16(2-8-19)25-30-23-14-9-20(15-24(23)31-25)29-27(35)18-5-12-22(13-6-18)33(38)39/h1-15H,(H,36,40)(H,37,41)(H,38,39);1-13H,(H,32,36)(H,33,37)(H,34,35);1-15H,(H,28,34)(H,29,35)(H,30,31)
InChIKeyLGOVTMRCIRWTRN-UHFFFAOYSA-N
MW1661.22 g/mol
LogP21.67
Rot. Bonds17

About 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide

3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 159344781) has the molecular formula C83H52Cl4F6N14O10 and a molecular weight of 1661.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID159344781
Molecular FormulaC83H52Cl4F6N14O10
Molecular Weight1661.22 g/mol
Exact Mass1658.26
IUPAC Name3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3[nH]2)cc1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C29H18F6N4O2.C27H16Cl4N4O2.C27H18N6O6/c30-28(31,32)19-7-1-17(2-8-19)26(40)36-21-11-5-16(6-12-21)25-38-23-14-13-22(15-24(23)39-25)37-27(41)18-3-9-20(10-4-18)29(33,34)35;28-19-8-3-15(11-21(19)30)26(36)32-17-5-1-14(2-6-17)25-34-23-10-7-18(13-24(23)35-25)33-27(37)16-4-9-20(29)22(31)12-16;34-26(17-3-10-21(11-4-17)32(36)37)28-19-7-1-16(2-8-19)25-30-23-14-9-20(15-24(23)31-25)29-27(35)18-5-12-22(13-6-18)33(38)39/h1-15H,(H,36,40)(H,37,41)(H,38,39);1-13H,(H,32,36)(H,33,37)(H,34,35);1-15H,(H,28,34)(H,29,35)(H,30,31)
InChIKeyLGOVTMRCIRWTRN-UHFFFAOYSA-N
XLogP21.67
TPSA346.92 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001661.22
LogP ≤ 521.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 159344781) is 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3[nH]2)cc1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is LGOVTMRCIRWTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18F6N4O2.C27H16Cl4N4O2.C27H18N6O6/c30-28(31,32)19-7-1-17(2-8-19)26(40)36-21-11-5-16(6-12-21)25-38-23-14-13-22(15-24(23)39-25)37-27(41)18-3-9-20(10-4-18)29(33,34)35;28-19-8-3-15(11-21(19)30)26(36)32-17-5-1-14(2-6-17)25-34-23-10-7-18(13-24(23)35-25)33-27(37)16-4-9-20(29)22(31)12-16;34-26(17-3-10-21(11-4-17)32(36)37)28-19-7-1-16(2-8-19)25-30-23-14-9-20(15-24(23)31-25)29-27(35)18-5-12-22(13-6-18)33(38)39/h1-15H,(H,36,40)(H,37,41)(H,38,39);1-13H,(H,32,36)(H,33,37)(H,34,35);1-15H,(H,28,34)(H,29,35)(H,30,31).
What are the key properties of 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 1661.22 g/mol, XLogP of 21.67, 17 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-nitro-N-[4-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 159344781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).