2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol

C15H18Cl2N2O — CID 13058890

IUPAC2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
SMILESCC(C)CC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O/c1-11(2)8-15(20,9-19-6-5-18-10-19)13-4-3-12(16)7-14(13)17/h3-7,10-11,20H,8-9H2,1-2H3
InChIKeyYQEBTSGJGDSNPF-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.12
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol

2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol (PubChem CID 13058890) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
PubChem CID13058890
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
SMILESCC(C)CC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O/c1-11(2)8-15(20,9-19-6-5-18-10-19)13-4-3-12(16)7-14(13)17/h3-7,10-11,20H,8-9H2,1-2H3
InChIKeyYQEBTSGJGDSNPF-UHFFFAOYSA-N
XLogP4.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-morpholin-4-ylpropan-2-ol
CID 13189528
2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
CID 70569120
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
CID 70480605
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol
CID 3068282
(2S)-1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;hydrochloride
CID 70472519
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 20519458
1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 3068301
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 3068311
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
4-(2,4-dichlorophenyl)-4-hydroxy-5-imidazol-1-yl-3-sulfanylpentanoic acid
CID 88691821
1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole
CID 19759744
1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane
CID 142515228

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol (CID 13058890) is 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol is CC(C)CC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol?
The InChIKey is YQEBTSGJGDSNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c1-11(2)8-15(20,9-19-6-5-18-10-19)13-4-3-12(16)7-14(13)17/h3-7,10-11,20H,8-9H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol?
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol has a molecular weight of 313.23 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol is sourced from PubChem (CID 13058890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).