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

C27H16Cl4N4O2 — CID 10166808

IUPAC3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H16Cl4N4O2/c28-19-8-3-15(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/h1-13H,(H,32,36)(H,33,37)(H,34,35)
InChIKeyUUHLTMNUUGXGIY-UHFFFAOYSA-N
MW570.26 g/mol
LogP8.35
Rot. Bonds5

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

3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 10166808) has the molecular formula C27H16Cl4N4O2 and a molecular weight of 570.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)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
PubChem CID10166808
Molecular FormulaC27H16Cl4N4O2
Molecular Weight570.26 g/mol
Exact Mass568.00
IUPAC Name3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H16Cl4N4O2/c28-19-8-3-15(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/h1-13H,(H,32,36)(H,33,37)(H,34,35)
InChIKeyUUHLTMNUUGXGIY-UHFFFAOYSA-N
XLogP8.35
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.26
LogP ≤ 58.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84580791
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17297281
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
CID 20694978
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894

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?
The IUPAC name of 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 10166808) is 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)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?
The canonical SMILES for 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is UUHLTMNUUGXGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Cl4N4O2/c28-19-8-3-15(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/h1-13H,(H,32,36)(H,33,37)(H,34,35).
What are the key properties of 3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 570.26 g/mol, XLogP of 8.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 10166808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).