1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole

C17H21ClN2O2 — CID 20547718

IUPAC1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole
SMILESCC1OC(CCCn2ccnc2)(c2ccc(Cl)cc2)OC1C
InChIInChI=1S/C17H21ClN2O2/c1-13-14(2)22-17(21-13,15-4-6-16(18)7-5-15)8-3-10-20-11-9-19-12-20/h4-7,9,11-14H,3,8,10H2,1-2H3
InChIKeyQTHNVSKCEAKHJX-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.99
Rot. Bonds5

About 1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole

1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole (PubChem CID 20547718) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole.

Molecular Properties

Compound Name1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole
PubChem CID20547718
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole
SMILESCC1OC(CCCn2ccnc2)(c2ccc(Cl)cc2)OC1C
InChIInChI=1S/C17H21ClN2O2/c1-13-14(2)22-17(21-13,15-4-6-16(18)7-5-15)8-3-10-20-11-9-19-12-20/h4-7,9,11-14H,3,8,10H2,1-2H3
InChIKeyQTHNVSKCEAKHJX-UHFFFAOYSA-N
XLogP3.99
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 154279954
1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70545882
1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547721
1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70548406
2-(3-bromopropyl)-2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolane
CID 20547868
1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547939
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride
CID 19429364
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-(4-chlorophenyl)-1-(3-imidazol-1-ylpropyl)-3H-2-benzofuran-5-carbonitrile
CID 42605490
3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol
CID 22762962
[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol
CID 14326454
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
CID 57069299

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole?
The IUPAC name of 1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole (CID 20547718) is 1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole.
What is the SMILES notation for 1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole?
The canonical SMILES for 1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole is CC1OC(CCCn2ccnc2)(c2ccc(Cl)cc2)OC1C.
What is the InChIKey of 1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole?
The InChIKey is QTHNVSKCEAKHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-13-14(2)22-17(21-13,15-4-6-16(18)7-5-15)8-3-10-20-11-9-19-12-20/h4-7,9,11-14H,3,8,10H2,1-2H3.
What are the key properties of 1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole?
1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole has a molecular weight of 320.82 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole is sourced from PubChem (CID 20547718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).