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

C23H24FN5O3 — CID 162176315

IUPACacetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid
SMILESCC(N)=O.O=C(O)c1c(F)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C21H19FN4O2.C2H5NO/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;1-2(3)4/h6-11,13H,1-5H2,(H,23,24)(H,27,28);1H3,(H2,3,4)
InChIKeyZOLFFNHEVRRRED-UHFFFAOYSA-N
MW437.48 g/mol
LogP4.41
Rot. Bonds3

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

acetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid (PubChem CID 162176315) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is acetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Nameacetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid
PubChem CID162176315
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Nameacetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid
SMILESCC(N)=O.O=C(O)c1c(F)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C21H19FN4O2.C2H5NO/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;1-2(3)4/h6-11,13H,1-5H2,(H,23,24)(H,27,28);1H3,(H2,3,4)
InChIKeyZOLFFNHEVRRRED-UHFFFAOYSA-N
XLogP4.41
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid?
The IUPAC name of acetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid (CID 162176315) is acetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for acetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid?
The canonical SMILES for acetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid is CC(N)=O.O=C(O)c1c(F)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c12.
What is the InChIKey of acetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid?
The InChIKey is ZOLFFNHEVRRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2.C2H5NO/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;1-2(3)4/h6-11,13H,1-5H2,(H,23,24)(H,27,28);1H3,(H2,3,4).
What are the key properties of acetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid?
acetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid has a molecular weight of 437.48 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 162176315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).