4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide

C28H20N4O2 — CID 67686908

IUPAC4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1ccc(-c2nc3ccc(-c4ccc(O)cc4)cc3[nH]2)cc1
InChIInChI=1S/C28H20N4O2/c33-23-10-6-17(7-11-23)21-8-12-24-26(15-21)32-27(31-24)19-1-3-20(4-2-19)28(34)30-22-9-5-18-13-14-29-25(18)16-22/h1-16,29,33H,(H,30,34)(H,31,32)
InChIKeyHWNMDWHGXWMLNS-UHFFFAOYSA-N
MW444.49 g/mol
LogP6.34
Rot. Bonds4

About 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide

4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide (PubChem CID 67686908) has the molecular formula C28H20N4O2 and a molecular weight of 444.49 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide
PubChem CID67686908
Molecular FormulaC28H20N4O2
Molecular Weight444.49 g/mol
Exact Mass444.16
IUPAC Name4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1ccc(-c2nc3ccc(-c4ccc(O)cc4)cc3[nH]2)cc1
InChIInChI=1S/C28H20N4O2/c33-23-10-6-17(7-11-23)21-8-12-24-26(15-21)32-27(31-24)19-1-3-20(4-2-19)28(34)30-22-9-5-18-13-14-29-25(18)16-22/h1-16,29,33H,(H,30,34)(H,31,32)
InChIKeyHWNMDWHGXWMLNS-UHFFFAOYSA-N
XLogP6.34
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 56.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-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

(3S)-5-hydroxy-3-(2-(((1-((1-methylimidazol-4-yl)methyl)indol-6-yl)methylamino)methyl)-1H-indol-3-yl)-2,3-dihydroisoindol-1-one
CID 138756246
H-His-D-Trp-Ala-Tyr-D-Phe-Lys-NH2
CID 59446120
(2S)-2-[[1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 491166
18-hydroxy-4-[2-(1H-imidazol-5-yl)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione
CID 11668397
4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide
CID 44530598
(2S)-2-[[1-cyclohexyl-2-(1-methylpyrrol-2-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 46881984
2-(2-hydroxyphenyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]-3H-benzimidazole-5-carboxamide
CID 145966174
2-(2-hydroxyphenyl)-N-[2-hydroxy-3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]-3H-benzimidazole-5-carboxamide
CID 145966872
2-(2-hydroxyphenyl)-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3H-benzimidazole-5-carboxamide
CID 145974598
2-(2-hydroxyphenyl)-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 145975917
H-His-D-Trp-Ala-D-Tyr-D-Phe-Lys-NH2
CID 59446150
3-hydroxy-2-(3-methylphenyl)-3-[2-(pyrimidin-2-ylamino)-3H-benzimidazol-5-yl]isoindol-1-one
CID 67044841

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide?
The IUPAC name of 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide (CID 67686908) is 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide.
What is the SMILES notation for 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide?
The canonical SMILES for 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide is O=C(Nc1ccc2cc[nH]c2c1)c1ccc(-c2nc3ccc(-c4ccc(O)cc4)cc3[nH]2)cc1.
What is the InChIKey of 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide?
The InChIKey is HWNMDWHGXWMLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O2/c33-23-10-6-17(7-11-23)21-8-12-24-26(15-21)32-27(31-24)19-1-3-20(4-2-19)28(34)30-22-9-5-18-13-14-29-25(18)16-22/h1-16,29,33H,(H,30,34)(H,31,32).
What are the key properties of 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide?
4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide has a molecular weight of 444.49 g/mol, XLogP of 6.34, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-N-(1H-indol-6-yl)benzamide is sourced from PubChem (CID 67686908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).