1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide

C14H17BrN2O2 — CID 20547508

IUPAC1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide
SMILESBr.c1ccc(CC2(Cn3ccnc3)OCCO2)cc1
InChIInChI=1S/C14H16N2O2.BrH/c1-2-4-13(5-3-1)10-14(17-8-9-18-14)11-16-7-6-15-12-16;/h1-7,12H,8-11H2;1H
InChIKeyLDIDYEFXVNNBJB-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.45
Rot. Bonds4

About 1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide

1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide (PubChem CID 20547508) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide.

Molecular Properties

Compound Name1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide
PubChem CID20547508
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide
SMILESBr.c1ccc(CC2(Cn3ccnc3)OCCO2)cc1
InChIInChI=1S/C14H16N2O2.BrH/c1-2-4-13(5-3-1)10-14(17-8-9-18-14)11-16-7-6-15-12-16;/h1-7,12H,8-11H2;1H
InChIKeyLDIDYEFXVNNBJB-UHFFFAOYSA-N
XLogP2.45
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide 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

1-[2-(2-benzyl-1,3-dioxan-2-yl)ethyl]imidazole
CID 20547993
1-[[4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrobromide
CID 20547996
1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole
CID 20547788
1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547857
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11962103
1-[[2-[2-(3-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547713
1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547944
1-[[4,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547813
1-[[2-(2-phenylethyl)-4-propan-2-yl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547790
1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547874
1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547780
1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547846

Frequently Asked Questions

What is the IUPAC name of 1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide?
The IUPAC name of 1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide (CID 20547508) is 1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide.
What is the SMILES notation for 1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide?
The canonical SMILES for 1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide is Br.c1ccc(CC2(Cn3ccnc3)OCCO2)cc1.
What is the InChIKey of 1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide?
The InChIKey is LDIDYEFXVNNBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.BrH/c1-2-4-13(5-3-1)10-14(17-8-9-18-14)11-16-7-6-15-12-16;/h1-7,12H,8-11H2;1H.
What are the key properties of 1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide?
1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide has a molecular weight of 325.21 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide is sourced from PubChem (CID 20547508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).