1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride

C19H26Cl2N2O2 — CID 70549755

IUPAC1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride
SMILESCCC1(C)CCOC(CCc2ccc(Cl)cc2)(Cn2ccnc2)O1.Cl
InChIInChI=1S/C19H25ClN2O2.ClH/c1-3-18(2)10-13-23-19(24-18,14-22-12-11-21-15-22)9-8-16-4-6-17(20)7-5-16;/h4-7,11-12,15H,3,8-10,13-14H2,1-2H3;1H
InChIKeyRFZMWEJYTBABLB-UHFFFAOYSA-N
MW385.33 g/mol
LogP4.89
Rot. Bonds6

About 1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride

1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride (PubChem CID 70549755) has the molecular formula C19H26Cl2N2O2 and a molecular weight of 385.33 g/mol. Its IUPAC name is 1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride
PubChem CID70549755
Molecular FormulaC19H26Cl2N2O2
Molecular Weight385.33 g/mol
Exact Mass384.14
IUPAC Name1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride
SMILESCCC1(C)CCOC(CCc2ccc(Cl)cc2)(Cn2ccnc2)O1.Cl
InChIInChI=1S/C19H25ClN2O2.ClH/c1-3-18(2)10-13-23-19(24-18,14-22-12-11-21-15-22)9-8-16-4-6-17(20)7-5-16;/h4-7,11-12,15H,3,8-10,13-14H2,1-2H3;1H
InChIKeyRFZMWEJYTBABLB-UHFFFAOYSA-N
XLogP4.89
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[2-(4-chlorophenyl)ethyl]-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547720
1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-1,3-dioxolan-2-yl]methyl]imidazole;oxalic acid
CID 20547826
[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 18648489
1-[[2-[2-(4-tert-butylphenyl)ethyl]-5,5-diethyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547988
1-[[2-[2-(4-chlorophenyl)ethyl]-4-[(2,6-dimethylphenyl)sulfanylmethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 13104890
1-[[(2R,4S)-4-(5-chlorohexa-2,4-dien-2-ylsulfanylmethyl)-2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 123645255
1-[[4,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547813
1-[[4-tert-butyl-2-[2-(4-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547577
1-[[2-[2-(4-fluorophenyl)ethyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547952
4-[[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenol;hydrochloride
CID 25143214
4-[[2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-N-methylaniline
CID 19813133
1-[[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-4-[(4-iodophenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 66679073

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride?
The IUPAC name of 1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride (CID 70549755) is 1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride?
The canonical SMILES for 1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride is CCC1(C)CCOC(CCc2ccc(Cl)cc2)(Cn2ccnc2)O1.Cl.
What is the InChIKey of 1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride?
The InChIKey is RFZMWEJYTBABLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2.ClH/c1-3-18(2)10-13-23-19(24-18,14-22-12-11-21-15-22)9-8-16-4-6-17(20)7-5-16;/h4-7,11-12,15H,3,8-10,13-14H2,1-2H3;1H.
What are the key properties of 1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride?
1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride has a molecular weight of 385.33 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride is sourced from PubChem (CID 70549755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).