6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C25H27N3O3 — CID 46973213

IUPAC6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4nc(C(C)C)[nH]c4c3)CC1)O2
InChIInChI=1S/C25H27N3O3/c1-15(2)23-26-19-6-5-17(13-20(19)27-23)24(30)28-10-8-25(9-11-28)14-21(29)18-12-16(3)4-7-22(18)31-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,27)
InChIKeyVDMJZXOCADTZSI-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.63
Rot. Bonds2

About 6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46973213) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46973213
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4nc(C(C)C)[nH]c4c3)CC1)O2
InChIInChI=1S/C25H27N3O3/c1-15(2)23-26-19-6-5-17(13-20(19)27-23)24(30)28-10-8-25(9-11-28)14-21(29)18-12-16(3)4-7-22(18)31-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,27)
InChIKeyVDMJZXOCADTZSI-UHFFFAOYSA-N
XLogP4.63
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethyl-1'-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 87679849
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone
CID 110801893
1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734251
6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735213
1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 69074460
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789
1'-benzoyl-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770141
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076705
1'-[2-(1H-indol-5-yl)-3H-benzimidazole-5-carbonyl]-8,8-dimethylspiro[6,7-dihydro-3H-pyrano[3,2-g]chromene-2,4'-piperidine]-4-one
CID 164517147
5-methoxy-1'-(2-pyridin-3-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884712
1'-(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734552

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 46973213) is 6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4nc(C(C)C)[nH]c4c3)CC1)O2.
What is the InChIKey of 6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is VDMJZXOCADTZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-15(2)23-26-19-6-5-17(13-20(19)27-23)24(30)28-10-8-25(9-11-28)14-21(29)18-12-16(3)4-7-22(18)31-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,27).
What are the key properties of 6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 417.51 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46973213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).