N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide

C22H22FN3O2 — CID 118938410

IUPACN-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)C3CC34CC4)n(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C22H22FN3O2/c1-21(2,28)13-3-8-17-18(11-13)26(15-6-4-14(23)5-7-15)20(24-17)25-19(27)16-12-22(16)9-10-22/h3-8,11,16,28H,9-10,12H2,1-2H3,(H,24,25,27)
InChIKeyMWRVIOMCYPVPOY-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.13
Rot. Bonds4

About N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide

N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide (PubChem CID 118938410) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide
PubChem CID118938410
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)C3CC34CC4)n(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C22H22FN3O2/c1-21(2,28)13-3-8-17-18(11-13)26(15-6-4-14(23)5-7-15)20(24-17)25-19(27)16-12-22(16)9-10-22/h3-8,11,16,28H,9-10,12H2,1-2H3,(H,24,25,27)
InChIKeyMWRVIOMCYPVPOY-UHFFFAOYSA-N
XLogP4.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide (CID 118938410) is N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide is CC(C)(O)c1ccc2nc(NC(=O)C3CC34CC4)n(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide?
The InChIKey is MWRVIOMCYPVPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-21(2,28)13-3-8-17-18(11-13)26(15-6-4-14(23)5-7-15)20(24-17)25-19(27)16-12-22(16)9-10-22/h3-8,11,16,28H,9-10,12H2,1-2H3,(H,24,25,27).
What are the key properties of N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide?
N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 118938410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).