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

C34H32N4O4 — CID 164517147

IUPAC1'-[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
SMILESCC1(C)CCc2cc3c(cc2O1)OC1(CCN(C(=O)c2ccc4nc(-c5ccc6[nH]ccc6c5)[nH]c4c2)CC1)CC3=O
InChIInChI=1S/C34H32N4O4/c1-33(2)9-7-21-16-24-28(39)19-34(42-30(24)18-29(21)41-33)10-13-38(14-11-34)32(40)23-4-6-26-27(17-23)37-31(36-26)22-3-5-25-20(15-22)8-12-35-25/h3-6,8,12,15-18,35H,7,9-11,13-14,19H2,1-2H3,(H,36,37)
InChIKeyOZXVVQYXAMBGPG-UHFFFAOYSA-N
MW560.65 g/mol
LogP6.45
Rot. Bonds2

About 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

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 (PubChem CID 164517147) has the molecular formula C34H32N4O4 and a molecular weight of 560.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1'-[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
PubChem CID164517147
Molecular FormulaC34H32N4O4
Molecular Weight560.65 g/mol
Exact Mass560.24
IUPAC Name1'-[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
SMILESCC1(C)CCc2cc3c(cc2O1)OC1(CCN(C(=O)c2ccc4nc(-c5ccc6[nH]ccc6c5)[nH]c4c2)CC1)CC3=O
InChIInChI=1S/C34H32N4O4/c1-33(2)9-7-21-16-24-28(39)19-34(42-30(24)18-29(21)41-33)10-13-38(14-11-34)32(40)23-4-6-26-27(17-23)37-31(36-26)22-3-5-25-20(15-22)8-12-35-25/h3-6,8,12,15-18,35H,7,9-11,13-14,19H2,1-2H3,(H,36,37)
InChIKeyOZXVVQYXAMBGPG-UHFFFAOYSA-N
XLogP6.45
TPSA100.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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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
6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46973213
5-methoxy-1'-(2-pyridin-3-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884712
[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 167847240
6,7-dimethyl-1'-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69072990
7-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56892927
6,7-dimethyl-1'-(3-pyrimidin-4-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 68977663
1'-(2H-benzotriazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid
CID 69074028
6-bromo-7-methyl-1'-[3-(1H-pyrazol-5-yl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69071495
6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735213
1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 44769674
8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11682270

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCc2cc3c(cc2O1)OC1(CCN(C(=O)c2ccc4nc(-c5ccc6[nH]ccc6c5)[nH]c4c2)CC1)CC3=O.
What is the InChIKey of 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?
The InChIKey is OZXVVQYXAMBGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O4/c1-33(2)9-7-21-16-24-28(39)19-34(42-30(24)18-29(21)41-33)10-13-38(14-11-34)32(40)23-4-6-26-27(17-23)37-31(36-26)22-3-5-25-20(15-22)8-12-35-25/h3-6,8,12,15-18,35H,7,9-11,13-14,19H2,1-2H3,(H,36,37).
What are the key properties of 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?
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 has a molecular weight of 560.65 g/mol, XLogP of 6.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164517147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).