N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide

C41H29ClN6O4 — CID 135450435

IUPACN-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(/N=C/c5ccccc5O)cc4)c(Cl)c3[nH]2)cc1)c1ccc(/N=C/c2ccccc2O)cc1
InChIInChI=1S/C41H29ClN6O4/c42-37-33(47-41(52)27-13-17-31(18-14-27)44-24-29-6-2-4-8-36(29)50)21-22-34-38(37)48-39(46-34)25-9-19-32(20-10-25)45-40(51)26-11-15-30(16-12-26)43-23-28-5-1-3-7-35(28)49/h1-24,49-50H,(H,45,51)(H,46,48)(H,47,52)/b43-23+,44-24+
InChIKeyWFILOKDMVCEEPI-ADHDEERNSA-N
MW705.17 g/mol
LogP9.30
Rot. Bonds9

About N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide

N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135450435) has the molecular formula C41H29ClN6O4 and a molecular weight of 705.17 g/mol. Its IUPAC name is N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135450435
Molecular FormulaC41H29ClN6O4
Molecular Weight705.17 g/mol
Exact Mass704.19
IUPAC NameN-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(/N=C/c5ccccc5O)cc4)c(Cl)c3[nH]2)cc1)c1ccc(/N=C/c2ccccc2O)cc1
InChIInChI=1S/C41H29ClN6O4/c42-37-33(47-41(52)27-13-17-31(18-14-27)44-24-29-6-2-4-8-36(29)50)21-22-34-38(37)48-39(46-34)25-9-19-32(20-10-25)45-40(51)26-11-15-30(16-12-26)43-23-28-5-1-3-7-35(28)49/h1-24,49-50H,(H,45,51)(H,46,48)(H,47,52)/b43-23+,44-24+
InChIKeyWFILOKDMVCEEPI-ADHDEERNSA-N
XLogP9.30
TPSA152.06 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.17
LogP ≤ 59.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]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

N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 145973650
N-[2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl]-2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 145969382
N-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 145976928
N-(4-{7-chloro-6-[({4-[(phenylacetyl)amino]phenyl}carbonyl)amino]-1H-benzimidazol-2-yl}phenyl)-4-[(phenylacetyl)amino]benzamide
CID 135495706
N-[4-({2-[1-(3,5-difluorobenzoyl)-2-(3-hydroxyphenyl)-2-oxoethylidene]-2,3-dihydro-1H-benzimidazol-5-ylamino}methyl)phenyl]acetamide
CID 136377634
2-(4-chlorophenyl)-N'-(2-hydroxybenzylidene)-1h-benzo[d]imidazole-5-carbohydrazide
CID 170838399
N-[4-[4-chloro-5-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-phenylacetyl)amino]benzamide
CID 3106745
N-[4-[[[2-[(E)-1-(3,5-difluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-3H-benzimidazol-5-yl]amino]methyl]phenyl]acetamide
CID 135555935
N-[2-(5-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-N-methylbenzamide
CID 56710130
2-(4-chlorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 177698295
4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide
CID 3106718
5-chloro-2-hydroxy-N-[2-(4-nitrophenyl)-3H-benzimidazol-5-yl]benzamide
CID 13177429

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide (CID 135450435) is N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide is O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(/N=C/c5ccccc5O)cc4)c(Cl)c3[nH]2)cc1)c1ccc(/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is WFILOKDMVCEEPI-ADHDEERNSA-N. The full InChI is InChI=1S/C41H29ClN6O4/c42-37-33(47-41(52)27-13-17-31(18-14-27)44-24-29-6-2-4-8-36(29)50)21-22-34-38(37)48-39(46-34)25-9-19-32(20-10-25)45-40(51)26-11-15-30(16-12-26)43-23-28-5-1-3-7-35(28)49/h1-24,49-50H,(H,45,51)(H,46,48)(H,47,52)/b43-23+,44-24+.
What are the key properties of N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide?
N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 705.17 g/mol, XLogP of 9.30, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-[(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135450435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).