[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol

C14H16Cl2N2O3 — CID 99737329

IUPAC[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESOC[C@H]1CO[C@](CN2C=CNC2)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-1-2-12(13(16)5-10)14(8-18-4-3-17-9-18)20-7-11(6-19)21-14/h1-5,11,17,19H,6-9H2/t11-,14-/m0/s1
InChIKeyPLOIJXZSUADXTD-FZMZJTMJSA-N
MW331.20 g/mol
LogP1.89
Rot. Bonds4

About [(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol

[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 99737329) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is [(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
PubChem CID99737329
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESOC[C@H]1CO[C@](CN2C=CNC2)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-1-2-12(13(16)5-10)14(8-18-4-3-17-9-18)20-7-11(6-19)21-14/h1-5,11,17,19H,6-9H2/t11-,14-/m0/s1
InChIKeyPLOIJXZSUADXTD-FZMZJTMJSA-N
XLogP1.89
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794639
[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794641
[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol;oxalic acid
CID 123132413
[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872520
[2-(2,4-dichlorophenyl)-2-[(2-methylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol;methanesulfonic acid
CID 88719179
[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol;methanesulfonic acid
CID 88718781
2-[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 13368471
[(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol
CID 10833202
benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol
CID 70516009
1-[[2-(2,4-dichlorophenyl)-4-prop-1-en-2-yl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 123238324
1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 679165
1-[[4-[(3,5-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 70590204

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol (CID 99737329) is [(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol is OC[C@H]1CO[C@](CN2C=CNC2)(c2ccc(Cl)cc2Cl)O1.
What is the InChIKey of [(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is PLOIJXZSUADXTD-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-1-2-12(13(16)5-10)14(8-18-4-3-17-9-18)20-7-11(6-19)21-14/h1-5,11,17,19H,6-9H2/t11-,14-/m0/s1.
What are the key properties of [(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol?
[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 331.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 99737329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).