N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide

C38H26Cl2N6O2 — CID 5387529

IUPACN-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide
SMILESO=C(N/C(=C\c1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1
InChIInChI=1S/C38H26Cl2N6O2/c39-27-15-17-29-31(21-27)43-35(41-29)33(45-37(47)25-7-3-1-4-8-25)19-23-11-13-24(14-12-23)20-34(46-38(48)26-9-5-2-6-10-26)36-42-30-18-16-28(40)22-32(30)44-36/h1-22H,(H,41,43)(H,42,44)(H,45,47)(H,46,48)/b33-19-,34-20-
InChIKeyLFNDAGSBDJYDPC-NBDJWBGESA-N
MW669.57 g/mol
LogP8.60
Rot. Bonds8

About N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide

N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide (PubChem CID 5387529) has the molecular formula C38H26Cl2N6O2 and a molecular weight of 669.57 g/mol. Its IUPAC name is N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide
PubChem CID5387529
Molecular FormulaC38H26Cl2N6O2
Molecular Weight669.57 g/mol
Exact Mass668.15
IUPAC NameN-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide
SMILESO=C(N/C(=C\c1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1
InChIInChI=1S/C38H26Cl2N6O2/c39-27-15-17-29-31(21-27)43-35(41-29)33(45-37(47)25-7-3-1-4-8-25)19-23-11-13-24(14-12-23)20-34(46-38(48)26-9-5-2-6-10-26)36-42-30-18-16-28(40)22-32(30)44-36/h1-22H,(H,41,43)(H,42,44)(H,45,47)(H,46,48)/b33-19-,34-20-
InChIKeyLFNDAGSBDJYDPC-NBDJWBGESA-N
XLogP8.60
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.57
LogP ≤ 58.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide 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

1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
CID 247228
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3-chlorophenyl)methanone
CID 1430052
N-[5-(1H-benzimidazol-2-yl)pentyl]-2-chlorobenzamide
CID 1599825
N,N'-bis[4-(1H-benzimidazol-2-yl)phenyl]hexanediamide
CID 483665
4-chloro-N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 493035
(E)-2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 5760298
4-(5,6-Dichlorobenzimidazol-2-yl)-n-(1,2,2,6,6-pentamethylpiperidin-4-yl)benzamide
CID 9804230
4-(5-Chlorobenzimidazol-2-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-benzamide
CID 9845284
2-[4-(4-Chloro-phenylcarbamoyl)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 11443510
6-Chloro-2-(4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
CID 16665847
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(5,6-dichloro-1H-benzimidazol-2-yl)benzamide
CID 21100920
N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 25066983

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide?
The IUPAC name of N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide (CID 5387529) is N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide.
What is the SMILES notation for N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide?
The canonical SMILES for N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide is O=C(N/C(=C\c1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1.
What is the InChIKey of N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide?
The InChIKey is LFNDAGSBDJYDPC-NBDJWBGESA-N. The full InChI is InChI=1S/C38H26Cl2N6O2/c39-27-15-17-29-31(21-27)43-35(41-29)33(45-37(47)25-7-3-1-4-8-25)19-23-11-13-24(14-12-23)20-34(46-38(48)26-9-5-2-6-10-26)36-42-30-18-16-28(40)22-32(30)44-36/h1-22H,(H,41,43)(H,42,44)(H,45,47)(H,46,48)/b33-19-,34-20-.
What are the key properties of N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide?
N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide has a molecular weight of 669.57 g/mol, XLogP of 8.60, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-chloro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(6-chloro-1H-benzimidazol-2-yl)ethenyl]benzamide is sourced from PubChem (CID 5387529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).