4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide

C36H28N6O4 — CID 10008851

IUPAC4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4-c4nc5ccc(NC(=O)c6ccc(OC)cc6)cc5[nH]4)[nH]c3c2)cc1
InChIInChI=1S/C36H28N6O4/c1-45-25-13-7-21(8-14-25)35(43)37-23-11-17-29-31(19-23)41-33(39-29)27-5-3-4-6-28(27)34-40-30-18-12-24(20-32(30)42-34)38-36(44)22-9-15-26(46-2)16-10-22/h3-20H,1-2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42)
InChIKeyPJNOCAKUJBGIDH-UHFFFAOYSA-N
MW608.66 g/mol
LogP7.30
Rot. Bonds8

About 4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide

4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 10008851) has the molecular formula C36H28N6O4 and a molecular weight of 608.66 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide
PubChem CID10008851
Molecular FormulaC36H28N6O4
Molecular Weight608.66 g/mol
Exact Mass608.22
IUPAC Name4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4-c4nc5ccc(NC(=O)c6ccc(OC)cc6)cc5[nH]4)[nH]c3c2)cc1
InChIInChI=1S/C36H28N6O4/c1-45-25-13-7-21(8-14-25)35(43)37-23-11-17-29-31(19-23)41-33(39-29)27-5-3-4-6-28(27)34-40-30-18-12-24(20-32(30)42-34)38-36(44)22-9-15-26(46-2)16-10-22/h3-20H,1-2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42)
InChIKeyPJNOCAKUJBGIDH-UHFFFAOYSA-N
XLogP7.30
TPSA134.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.66
LogP ≤ 57.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]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-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
CID 2718165
4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 4161341
N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 17497689
N-(1-(3-amino-3-oxopropyl)-5-(N-methylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)-4-methoxybenzamide
CID 44588791
N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965566
1-[4-(4-methoxyphenyl)-2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 154689066
N-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]acetamide
CID 1088929
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 2787162
N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-1H-benzimidazol-5-yl}-4-methoxybenzamide
CID 4898713
4-methoxy-N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 6484093

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide (CID 10008851) is 4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide is COc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4-c4nc5ccc(NC(=O)c6ccc(OC)cc6)cc5[nH]4)[nH]c3c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide?
The InChIKey is PJNOCAKUJBGIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N6O4/c1-45-25-13-7-21(8-14-25)35(43)37-23-11-17-29-31(19-23)41-33(39-29)27-5-3-4-6-28(27)34-40-30-18-12-24(20-32(30)42-34)38-36(44)22-9-15-26(46-2)16-10-22/h3-20H,1-2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42).
What are the key properties of 4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide?
4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide has a molecular weight of 608.66 g/mol, XLogP of 7.30, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[2-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 10008851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).