benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol

C23H24Cl2N2O5 — CID 70516009

IUPACbenzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol
SMILESCCc1nccn1CC1(c2ccc(Cl)cc2Cl)OCC(CO)O1.O=C(O)c1ccccc1
InChIInChI=1S/C16H18Cl2N2O3.C7H6O2/c1-2-15-19-5-6-20(15)10-16(22-9-12(8-21)23-16)13-4-3-11(17)7-14(13)18;8-7(9)6-4-2-1-3-5-6/h3-7,12,21H,2,8-10H2,1H3;1-5H,(H,8,9)
InChIKeyYZLBPFYSRMTZCK-UHFFFAOYSA-N
MW479.36 g/mol
LogP4.40
Rot. Bonds6

About benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol

benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol (PubChem CID 70516009) has the molecular formula C23H24Cl2N2O5 and a molecular weight of 479.36 g/mol. Its IUPAC name is benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Namebenzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol
PubChem CID70516009
Molecular FormulaC23H24Cl2N2O5
Molecular Weight479.36 g/mol
Exact Mass478.11
IUPAC Namebenzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol
SMILESCCc1nccn1CC1(c2ccc(Cl)cc2Cl)OCC(CO)O1.O=C(O)c1ccccc1
InChIInChI=1S/C16H18Cl2N2O3.C7H6O2/c1-2-15-19-5-6-20(15)10-16(22-9-12(8-21)23-16)13-4-3-11(17)7-14(13)18;8-7(9)6-4-2-1-3-5-6/h3-7,12,21H,2,8-10H2,1H3;1-5H,(H,8,9)
InChIKeyYZLBPFYSRMTZCK-UHFFFAOYSA-N
XLogP4.40
TPSA93.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.36
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol;methanesulfonic acid
CID 88718781
[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-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol;oxalic acid
CID 123132413
[(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
[5-chloro-2-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-4-methylphenyl]-phenylmethanone
CID 70588816
[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 99737329
2-[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 13368471
N-[2-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 12854786
[(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol
CID 10833202
[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-phenylcarbamic acid
CID 54186816
4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]-2,2-dimethylbutanoic acid
CID 70486777

Frequently Asked Questions

What is the IUPAC name of benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol (CID 70516009) is benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol is CCc1nccn1CC1(c2ccc(Cl)cc2Cl)OCC(CO)O1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol?
The InChIKey is YZLBPFYSRMTZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3.C7H6O2/c1-2-15-19-5-6-20(15)10-16(22-9-12(8-21)23-16)13-4-3-11(17)7-14(13)18;8-7(9)6-4-2-1-3-5-6/h3-7,12,21H,2,8-10H2,1H3;1-5H,(H,8,9).
What are the key properties of benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol?
benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol has a molecular weight of 479.36 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 70516009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).