1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C24H24FN3O3 — CID 46973208

IUPAC1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)CC1)O2
InChIInChI=1S/C24H24FN3O3/c1-15-2-5-21-17(12-15)20(29)14-24(31-21)8-10-28(11-9-24)23(30)7-6-22-26-18-4-3-16(25)13-19(18)27-22/h2-5,12-13H,6-11,14H2,1H3,(H,26,27)
InChIKeyQYHIYUOAQJDUAX-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.97
Rot. Bonds3

About 1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46973208) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46973208
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)CC1)O2
InChIInChI=1S/C24H24FN3O3/c1-15-2-5-21-17(12-15)20(29)14-24(31-21)8-10-28(11-9-24)23(30)7-6-22-26-18-4-3-16(25)13-19(18)27-22/h2-5,12-13H,6-11,14H2,1H3,(H,26,27)
InChIKeyQYHIYUOAQJDUAX-UHFFFAOYSA-N
XLogP3.97
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 46973208) is 1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)CC1)O2.
What is the InChIKey of 1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is QYHIYUOAQJDUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-15-2-5-21-17(12-15)20(29)14-24(31-21)8-10-28(11-9-24)23(30)7-6-22-26-18-4-3-16(25)13-19(18)27-22/h2-5,12-13H,6-11,14H2,1H3,(H,26,27).
What are the key properties of 1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 421.47 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46973208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).