3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide

C21H15N5O2 — CID 135839313

IUPAC3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C21H15N5O2/c27-14-8-6-13(7-9-14)22-21(28)12-5-10-15-18(11-12)25-26-19(15)20-23-16-3-1-2-4-17(16)24-20/h1-11,27H,(H,22,28)(H,23,24)(H,25,26)
InChIKeyYTHNMZSSIPVUMR-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.06
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide

3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide (PubChem CID 135839313) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide
PubChem CID135839313
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C21H15N5O2/c27-14-8-6-13(7-9-14)22-21(28)12-5-10-15-18(11-12)25-26-19(15)20-23-16-3-1-2-4-17(16)24-20/h1-11,27H,(H,22,28)(H,23,24)(H,25,26)
InChIKeyYTHNMZSSIPVUMR-UHFFFAOYSA-N
XLogP4.06
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide (CID 135839313) is 3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide is O=C(Nc1ccc(O)cc1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide?
The InChIKey is YTHNMZSSIPVUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c27-14-8-6-13(7-9-14)22-21(28)12-5-10-15-18(11-12)25-26-19(15)20-23-16-3-1-2-4-17(16)24-20/h1-11,27H,(H,22,28)(H,23,24)(H,25,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide?
3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(4-hydroxyphenyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 135839313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).