3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one

C25H23Cl2N3O2 — CID 5174025

IUPAC3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESO=C1CC(C(=O)N2CCC(c3nccn3Cc3cc(Cl)ccc3Cl)CC2)c2ccccc21
InChIInChI=1S/C25H23Cl2N3O2/c26-18-5-6-22(27)17(13-18)15-30-12-9-28-24(30)16-7-10-29(11-8-16)25(32)21-14-23(31)20-4-2-1-3-19(20)21/h1-6,9,12-13,16,21H,7-8,10-11,14-15H2
InChIKeyBIPPPOLFVLZXRU-UHFFFAOYSA-N
MW468.38 g/mol
LogP5.31
Rot. Bonds4

About 3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one

3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one (PubChem CID 5174025) has the molecular formula C25H23Cl2N3O2 and a molecular weight of 468.38 g/mol. Its IUPAC name is 3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one
PubChem CID5174025
Molecular FormulaC25H23Cl2N3O2
Molecular Weight468.38 g/mol
Exact Mass467.12
IUPAC Name3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESO=C1CC(C(=O)N2CCC(c3nccn3Cc3cc(Cl)ccc3Cl)CC2)c2ccccc21
InChIInChI=1S/C25H23Cl2N3O2/c26-18-5-6-22(27)17(13-18)15-30-12-9-28-24(30)16-7-10-29(11-8-16)25(32)21-14-23(31)20-4-2-1-3-19(20)21/h1-6,9,12-13,16,21H,7-8,10-11,14-15H2
InChIKeyBIPPPOLFVLZXRU-UHFFFAOYSA-N
XLogP5.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one with MolForge

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 5173775
3-(2-bromophenyl)-1-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 5174018
3-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 5006046
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3770108
2-(2,4-dichlorophenoxy)-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 3867445
2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione
CID 3381675
3-[2-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-methoxy-2,3-dihydroinden-1-one
CID 3439174
(3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3586149
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 102602758
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 97275791
3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70712835
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The IUPAC name of 3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one (CID 5174025) is 3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one is O=C1CC(C(=O)N2CCC(c3nccn3Cc3cc(Cl)ccc3Cl)CC2)c2ccccc21.
What is the InChIKey of 3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The InChIKey is BIPPPOLFVLZXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O2/c26-18-5-6-22(27)17(13-18)15-30-12-9-28-24(30)16-7-10-29(11-8-16)25(32)21-14-23(31)20-4-2-1-3-19(20)21/h1-6,9,12-13,16,21H,7-8,10-11,14-15H2.
What are the key properties of 3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one has a molecular weight of 468.38 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 5174025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).