N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide

C23H17N5O2 — CID 68796040

IUPACN-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccc(-n4ccnc4)cc3n2O)cc1)c1ccccc1
InChIInChI=1S/C23H17N5O2/c29-23(17-4-2-1-3-5-17)25-18-8-6-16(7-9-18)22-26-20-11-10-19(14-21(20)28(22)30)27-13-12-24-15-27/h1-15,30H,(H,25,29)
InChIKeyFVFVPNKGBQJPLM-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.38
Rot. Bonds4

About N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide

N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide (PubChem CID 68796040) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide
PubChem CID68796040
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC NameN-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccc(-n4ccnc4)cc3n2O)cc1)c1ccccc1
InChIInChI=1S/C23H17N5O2/c29-23(17-4-2-1-3-5-17)25-18-8-6-16(7-9-18)22-26-20-11-10-19(14-21(20)28(22)30)27-13-12-24-15-27/h1-15,30H,(H,25,29)
InChIKeyFVFVPNKGBQJPLM-UHFFFAOYSA-N
XLogP4.38
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]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-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
CID 91378305
2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
CID 11683111
4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide
CID 25061865
3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid
CID 10083635
4-hydroxy-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11718063
3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11589237
4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11632703
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-imidazol-1-ylbenzamide
CID 75355784
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide
CID 17438775
4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 110445417
4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide
CID 11668165
2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid
CID 75445751

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide?
The IUPAC name of N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide (CID 68796040) is N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nc3ccc(-n4ccnc4)cc3n2O)cc1)c1ccccc1.
What is the InChIKey of N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide?
The InChIKey is FVFVPNKGBQJPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c29-23(17-4-2-1-3-5-17)25-18-8-6-16(7-9-18)22-26-20-11-10-19(14-21(20)28(22)30)27-13-12-24-15-27/h1-15,30H,(H,25,29).
What are the key properties of N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide?
N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide has a molecular weight of 395.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 68796040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).