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

C35H25ClN6O3 — CID 169245034

IUPACN-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-(methylideneamino)benzamide
SMILESC=Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(/N=C/c6ccccc6O)cc5)c(Cl)c4[nH]3)cc2)cc1
InChIInChI=1S/C35H25ClN6O3/c1-37-25-12-8-22(9-13-25)34(44)39-27-16-6-21(7-17-27)33-40-29-19-18-28(31(36)32(29)42-33)41-35(45)23-10-14-26(15-11-23)38-20-24-4-2-3-5-30(24)43/h2-20,43H,1H2,(H,39,44)(H,40,42)(H,41,45)/b38-20+
InChIKeyYQDPCSIYHRRSMX-CHSHITCJSA-N
MW613.08 g/mol
LogP8.18
Rot. Bonds8

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

N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-(methylideneamino)benzamide (PubChem CID 169245034) has the molecular formula C35H25ClN6O3 and a molecular weight of 613.08 g/mol. Its IUPAC name is N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-(methylideneamino)benzamide.

Molecular Properties

Compound NameN-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-(methylideneamino)benzamide
PubChem CID169245034
Molecular FormulaC35H25ClN6O3
Molecular Weight613.08 g/mol
Exact Mass612.17
IUPAC NameN-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-(methylideneamino)benzamide
SMILESC=Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(/N=C/c6ccccc6O)cc5)c(Cl)c4[nH]3)cc2)cc1
InChIInChI=1S/C35H25ClN6O3/c1-37-25-12-8-22(9-13-25)34(44)39-27-16-6-21(7-17-27)33-40-29-19-18-28(31(36)32(29)42-33)41-35(45)23-10-14-26(15-11-23)38-20-24-4-2-3-5-30(24)43/h2-20,43H,1H2,(H,39,44)(H,40,42)(H,41,45)/b38-20+
InChIKeyYQDPCSIYHRRSMX-CHSHITCJSA-N
XLogP8.18
TPSA131.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.08
LogP ≤ 58.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(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
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-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 136781300
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
N-(2-(4-Morpholinophenyl)-1H-benzimidazol-5-yl)-2-hydroxybenzamide
CID 67112830

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-(methylideneamino)benzamide?
The IUPAC name of N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-(methylideneamino)benzamide (CID 169245034) is N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-(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-(methylideneamino)benzamide?
The canonical SMILES for N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-(methylideneamino)benzamide is C=Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(/N=C/c6ccccc6O)cc5)c(Cl)c4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-(methylideneamino)benzamide?
The InChIKey is YQDPCSIYHRRSMX-CHSHITCJSA-N. The full InChI is InChI=1S/C35H25ClN6O3/c1-37-25-12-8-22(9-13-25)34(44)39-27-16-6-21(7-17-27)33-40-29-19-18-28(31(36)32(29)42-33)41-35(45)23-10-14-26(15-11-23)38-20-24-4-2-3-5-30(24)43/h2-20,43H,1H2,(H,39,44)(H,40,42)(H,41,45)/b38-20+.
What are the key properties of N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-(methylideneamino)benzamide?
N-[4-[7-chloro-6-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]-4-(methylideneamino)benzamide has a molecular weight of 613.08 g/mol, XLogP of 8.18, 8 rotatable bonds, 4 hydrogen bond donors, and 6 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-(methylideneamino)benzamide is sourced from PubChem (CID 169245034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).