1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid

C28H25N5O3 — CID 23515540

IUPAC1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(C(=O)Nc3ccc4[nH]ncc4c3)cc1)n2C1CCCCC1
InChIInChI=1S/C28H25N5O3/c34-27(30-21-11-12-23-20(14-21)16-29-32-23)18-8-6-17(7-9-18)26-31-24-15-19(28(35)36)10-13-25(24)33(26)22-4-2-1-3-5-22/h6-16,22H,1-5H2,(H,29,32)(H,30,34)(H,35,36)
InChIKeyFCLWFFKFCYLKNT-UHFFFAOYSA-N
MW479.54 g/mol
LogP6.04
Rot. Bonds5

About 1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid

1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid (PubChem CID 23515540) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
PubChem CID23515540
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC Name1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(C(=O)Nc3ccc4[nH]ncc4c3)cc1)n2C1CCCCC1
InChIInChI=1S/C28H25N5O3/c34-27(30-21-11-12-23-20(14-21)16-29-32-23)18-8-6-17(7-9-18)26-31-24-15-19(28(35)36)10-13-25(24)33(26)22-4-2-1-3-5-22/h6-16,22H,1-5H2,(H,29,32)(H,30,34)(H,35,36)
InChIKeyFCLWFFKFCYLKNT-UHFFFAOYSA-N
XLogP6.04
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 56.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid (CID 23515540) is 1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(C(=O)Nc3ccc4[nH]ncc4c3)cc1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is FCLWFFKFCYLKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c34-27(30-21-11-12-23-20(14-21)16-29-32-23)18-8-6-17(7-9-18)26-31-24-15-19(28(35)36)10-13-25(24)33(26)22-4-2-1-3-5-22/h6-16,22H,1-5H2,(H,29,32)(H,30,34)(H,35,36).
What are the key properties of 1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 479.54 g/mol, XLogP of 6.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-(1H-indazol-5-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 23515540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).