N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide

C27H18Cl2N4O2 — CID 20694943

IUPACN-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C27H18Cl2N4O2/c28-19-12-18(13-20(29)14-19)27(35)31-22-10-11-23-24(15-22)33-25(32-23)16-6-8-21(9-7-16)30-26(34)17-4-2-1-3-5-17/h1-15H,(H,30,34)(H,31,35)(H,32,33)
InChIKeyOUSNBHYZYPQLEH-UHFFFAOYSA-N
MW501.37 g/mol
LogP7.04
Rot. Bonds5

About N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide

N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide (PubChem CID 20694943) has the molecular formula C27H18Cl2N4O2 and a molecular weight of 501.37 g/mol. Its IUPAC name is N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
PubChem CID20694943
Molecular FormulaC27H18Cl2N4O2
Molecular Weight501.37 g/mol
Exact Mass500.08
IUPAC NameN-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C27H18Cl2N4O2/c28-19-12-18(13-20(29)14-19)27(35)31-22-10-11-23-24(15-22)33-25(32-23)16-6-8-21(9-7-16)30-26(34)17-4-2-1-3-5-17/h1-15H,(H,30,34)(H,31,35)(H,32,33)
InChIKeyOUSNBHYZYPQLEH-UHFFFAOYSA-N
XLogP7.04
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.37
LogP ≤ 57.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide
CID 20695068
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096
N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 20694919
3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694849
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide?
The IUPAC name of N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide (CID 20694943) is N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide is O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3[nH]2)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide?
The InChIKey is OUSNBHYZYPQLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2N4O2/c28-19-12-18(13-20(29)14-19)27(35)31-22-10-11-23-24(15-22)33-25(32-23)16-6-8-21(9-7-16)30-26(34)17-4-2-1-3-5-17/h1-15H,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide?
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide has a molecular weight of 501.37 g/mol, XLogP of 7.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide is sourced from PubChem (CID 20694943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).