(2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol

C23H18Cl2N2OS2 — CID 10073568

IUPAC(2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol
SMILESCn1c(Sc2ccccc2)nc(C(O)c2ccc(Cl)cc2Cl)c1Sc1ccccc1
InChIInChI=1S/C23H18Cl2N2OS2/c1-27-22(29-16-8-4-2-5-9-16)20(21(28)18-13-12-15(24)14-19(18)25)26-23(27)30-17-10-6-3-7-11-17/h2-14,21,28H,1H3
InChIKeyYVNBCOKYRCPDLB-UHFFFAOYSA-N
MW473.45 g/mol
LogP7.11
Rot. Bonds6

About (2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol

(2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol (PubChem CID 10073568) has the molecular formula C23H18Cl2N2OS2 and a molecular weight of 473.45 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol
PubChem CID10073568
Molecular FormulaC23H18Cl2N2OS2
Molecular Weight473.45 g/mol
Exact Mass472.02
IUPAC Name(2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol
SMILESCn1c(Sc2ccccc2)nc(C(O)c2ccc(Cl)cc2Cl)c1Sc1ccccc1
InChIInChI=1S/C23H18Cl2N2OS2/c1-27-22(29-16-8-4-2-5-9-16)20(21(28)18-13-12-15(24)14-19(18)25)26-23(27)30-17-10-6-3-7-11-17/h2-14,21,28H,1H3
InChIKeyYVNBCOKYRCPDLB-UHFFFAOYSA-N
XLogP7.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.45
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-1-[chloro(phenylsulfanyl)methyl]benzene
CID 15100871
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CID 11452367
(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol
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3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one
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(2,4-dichlorophenyl)-(6-methyl-2-pyridinyl)methanol
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(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol
CID 166178328
cumene;2,4-dichloro-1-propan-2-ylbenzene
CID 162264964
(2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol
CID 53244245
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
(2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61270452
[5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride
CID 22130251

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol?
The IUPAC name of (2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol (CID 10073568) is (2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol?
The canonical SMILES for (2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol is Cn1c(Sc2ccccc2)nc(C(O)c2ccc(Cl)cc2Cl)c1Sc1ccccc1.
What is the InChIKey of (2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol?
The InChIKey is YVNBCOKYRCPDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2OS2/c1-27-22(29-16-8-4-2-5-9-16)20(21(28)18-13-12-15(24)14-19(18)25)26-23(27)30-17-10-6-3-7-11-17/h2-14,21,28H,1H3.
What are the key properties of (2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol?
(2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol has a molecular weight of 473.45 g/mol, XLogP of 7.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[1-methyl-2,5-bis(phenylsulfanyl)imidazol-4-yl]methanol is sourced from PubChem (CID 10073568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).