N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C24H23F3N4O4 — CID 126688286

IUPACN-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(N3C(=O)COCC34CC4)ccc2n1CCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N4O4/c25-24(26,27)16-4-1-3-15(11-16)21(34)29-22-28-18-12-17(5-6-19(18)30(22)9-2-10-32)31-20(33)13-35-14-23(31)7-8-23/h1,3-6,11-12,32H,2,7-10,13-14H2,(H,28,29,34)
InChIKeyQWHCJXLJFRVBGY-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.59
Rot. Bonds6

About N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126688286) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126688286
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC NameN-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(N3C(=O)COCC34CC4)ccc2n1CCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N4O4/c25-24(26,27)16-4-1-3-15(11-16)21(34)29-22-28-18-12-17(5-6-19(18)30(22)9-2-10-32)31-20(33)13-35-14-23(31)7-8-23/h1,3-6,11-12,32H,2,7-10,13-14H2,(H,28,29,34)
InChIKeyQWHCJXLJFRVBGY-UHFFFAOYSA-N
XLogP3.59
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126688286) is N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(N3C(=O)COCC34CC4)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is QWHCJXLJFRVBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c25-24(26,27)16-4-1-3-15(11-16)21(34)29-22-28-18-12-17(5-6-19(18)30(22)9-2-10-32)31-20(33)13-35-14-23(31)7-8-23/h1,3-6,11-12,32H,2,7-10,13-14H2,(H,28,29,34).
What are the key properties of N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 488.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126688286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).