1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C21H23N3O3 — CID 90640236

IUPAC1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)C3CCc4nc[nH]c4C3)CC2)Oc2ccccc21
InChIInChI=1S/C21H23N3O3/c25-18-12-21(27-19-4-2-1-3-15(18)19)7-9-24(10-8-21)20(26)14-5-6-16-17(11-14)23-13-22-16/h1-4,13-14H,5-12H2,(H,22,23)
InChIKeyVDYODMOWIQIAAE-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.54
Rot. Bonds1

About 1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 90640236) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID90640236
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)C3CCc4nc[nH]c4C3)CC2)Oc2ccccc21
InChIInChI=1S/C21H23N3O3/c25-18-12-21(27-19-4-2-1-3-15(18)19)7-9-24(10-8-21)20(26)14-5-6-16-17(11-14)23-13-22-16/h1-4,13-14H,5-12H2,(H,22,23)
InChIKeyVDYODMOWIQIAAE-UHFFFAOYSA-N
XLogP2.54
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734267
morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
CID 100660021
1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 18573660
1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586218
N-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46353341
[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 100661710
4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 91628368
(2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97274102
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 126468398
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 91628389

Frequently Asked Questions

What is the IUPAC name of 1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 90640236) is 1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)C3CCc4nc[nH]c4C3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is VDYODMOWIQIAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-18-12-21(27-19-4-2-1-3-15(18)19)7-9-24(10-8-21)20(26)14-5-6-16-17(11-14)23-13-22-16/h1-4,13-14H,5-12H2,(H,22,23).
What are the key properties of 1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 365.43 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 90640236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).