7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid

C21H19FN4O2 — CID 118338116

IUPAC7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1c(F)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C21H19FN4O2/c22-15-9-14(19-20(24-10-23-19)18(15)21(27)28)12-6-7-17-16(8-12)25-11-26(17)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,23,24)(H,27,28)
InChIKeySRWKWJBTLFVAQL-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.92
Rot. Bonds3

About 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid

7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid (PubChem CID 118338116) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid
PubChem CID118338116
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1c(F)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C21H19FN4O2/c22-15-9-14(19-20(24-10-23-19)18(15)21(27)28)12-6-7-17-16(8-12)25-11-26(17)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,23,24)(H,27,28)
InChIKeySRWKWJBTLFVAQL-UHFFFAOYSA-N
XLogP4.92
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid?
The IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid (CID 118338116) is 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid is O=C(O)c1c(F)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c12.
What is the InChIKey of 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid?
The InChIKey is SRWKWJBTLFVAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-15-9-14(19-20(24-10-23-19)18(15)21(27)28)12-6-7-17-16(8-12)25-11-26(17)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,23,24)(H,27,28).
What are the key properties of 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid?
7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid has a molecular weight of 378.41 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 118338116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).