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

C21H20FN5O — CID 118338209

IUPAC7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxamide
SMILESNC(=O)c1c(F)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C21H20FN5O/c22-15-9-14(19-20(25-10-24-19)18(15)21(23)28)12-6-7-17-16(8-12)26-11-27(17)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,23,28)(H,24,25)
InChIKeyCIOYWMGLOZAUDP-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.32
Rot. Bonds3

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

7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxamide (PubChem CID 118338209) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxamide
PubChem CID118338209
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxamide
SMILESNC(=O)c1c(F)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C21H20FN5O/c22-15-9-14(19-20(25-10-24-19)18(15)21(23)28)12-6-7-17-16(8-12)26-11-27(17)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,23,28)(H,24,25)
InChIKeyCIOYWMGLOZAUDP-UHFFFAOYSA-N
XLogP4.32
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.32
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-carboxamide?
The IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxamide (CID 118338209) is 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxamide is NC(=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-carboxamide?
The InChIKey is CIOYWMGLOZAUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-15-9-14(19-20(25-10-24-19)18(15)21(23)28)12-6-7-17-16(8-12)26-11-27(17)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,23,28)(H,24,25).
What are the key properties of 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxamide?
7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-3H-benzimidazole-4-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 4.32, 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-carboxamide is sourced from PubChem (CID 118338209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).