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

C21H20FN5O2 — CID 118338154

IUPAC7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide
SMILESO=C(NO)c1c(F)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C21H20FN5O2/c22-15-9-14(19-20(24-10-23-19)18(15)21(28)26-29)12-6-7-17-16(8-12)25-11-27(17)13-4-2-1-3-5-13/h6-11,13,29H,1-5H2,(H,23,24)(H,26,28)
InChIKeyNIWPIDSOEKZDOV-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.34
Rot. Bonds3

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

7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide (PubChem CID 118338154) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide
PubChem CID118338154
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide
SMILESO=C(NO)c1c(F)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c12
InChIInChI=1S/C21H20FN5O2/c22-15-9-14(19-20(24-10-23-19)18(15)21(28)26-29)12-6-7-17-16(8-12)25-11-27(17)13-4-2-1-3-5-13/h6-11,13,29H,1-5H2,(H,23,24)(H,26,28)
InChIKeyNIWPIDSOEKZDOV-UHFFFAOYSA-N
XLogP4.34
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide?
The IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide (CID 118338154) is 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide is O=C(NO)c1c(F)cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c12.
What is the InChIKey of 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide?
The InChIKey is NIWPIDSOEKZDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-15-9-14(19-20(24-10-23-19)18(15)21(28)26-29)12-6-7-17-16(8-12)25-11-27(17)13-4-2-1-3-5-13/h6-11,13,29H,1-5H2,(H,23,24)(H,26,28).
What are the key properties of 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide?
7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclohexylbenzimidazol-5-yl)-5-fluoro-N-hydroxy-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 118338154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).