2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol

C15H16Cl2N2O2 — CID 3068282

IUPAC2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O2/c1-2-7-21-10-15(20,9-19-6-5-18-11-19)13-4-3-12(16)8-14(13)17/h2-6,8,11,20H,1,7,9-10H2
InChIKeyKNWOUSMMYJNHDA-UHFFFAOYSA-N
MW327.21 g/mol
LogP3.28
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol

2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol (PubChem CID 3068282) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol
PubChem CID3068282
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O2/c1-2-7-21-10-15(20,9-19-6-5-18-11-19)13-4-3-12(16)8-14(13)17/h2-6,8,11,20H,1,7,9-10H2
InChIKeyKNWOUSMMYJNHDA-UHFFFAOYSA-N
XLogP3.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
CID 70569120
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
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-morpholin-4-ylpropan-2-ol
CID 13189528
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
(2S)-1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;hydrochloride
CID 70472519
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)pent-4-ynenitrile
CID 23339888
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol (CID 3068282) is 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol?
The InChIKey is KNWOUSMMYJNHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-2-7-21-10-15(20,9-19-6-5-18-11-19)13-4-3-12(16)8-14(13)17/h2-6,8,11,20H,1,7,9-10H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol?
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol has a molecular weight of 327.21 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 3068282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).