3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline

C30H27Cl2N3O3S — CID 174340007

IUPAC3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline
SMILESCC(C)c1nc(COCc2ccccc2)n(Cc2cnc3ccccc3c2)c1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C30H27Cl2N3O3S/c1-20(2)29-30(39(36,37)26-14-24(31)13-25(32)15-26)35(17-22-12-23-10-6-7-11-27(23)33-16-22)28(34-29)19-38-18-21-8-4-3-5-9-21/h3-16,20H,17-19H2,1-2H3
InChIKeyTXAPVSHQFPXIFM-UHFFFAOYSA-N
MW580.54 g/mol
LogP7.46
Rot. Bonds9

About 3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline

3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline (PubChem CID 174340007) has the molecular formula C30H27Cl2N3O3S and a molecular weight of 580.54 g/mol. Its IUPAC name is 3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline.

Molecular Properties

Compound Name3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline
PubChem CID174340007
Molecular FormulaC30H27Cl2N3O3S
Molecular Weight580.54 g/mol
Exact Mass579.12
IUPAC Name3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline
SMILESCC(C)c1nc(COCc2ccccc2)n(Cc2cnc3ccccc3c2)c1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C30H27Cl2N3O3S/c1-20(2)29-30(39(36,37)26-14-24(31)13-25(32)15-26)35(17-22-12-23-10-6-7-11-27(23)33-16-22)28(34-29)19-38-18-21-8-4-3-5-9-21/h3-16,20H,17-19H2,1-2H3
InChIKeyTXAPVSHQFPXIFM-UHFFFAOYSA-N
XLogP7.46
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.54
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline?
The IUPAC name of 3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline (CID 174340007) is 3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline.
What is the SMILES notation for 3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline?
The canonical SMILES for 3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline is CC(C)c1nc(COCc2ccccc2)n(Cc2cnc3ccccc3c2)c1S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline?
The InChIKey is TXAPVSHQFPXIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2N3O3S/c1-20(2)29-30(39(36,37)26-14-24(31)13-25(32)15-26)35(17-22-12-23-10-6-7-11-27(23)33-16-22)28(34-29)19-38-18-21-8-4-3-5-9-21/h3-16,20H,17-19H2,1-2H3.
What are the key properties of 3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline?
3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline has a molecular weight of 580.54 g/mol, XLogP of 7.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3,5-dichlorophenyl)sulfonyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazol-1-yl]methyl]quinoline is sourced from PubChem (CID 174340007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).