1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole

C23H21ClN4O3 — CID 23335436

IUPAC1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole
SMILESClc1cccc(C2(Cn3ccnc3)OCC(COc3ccccc3-n3ccnc3)O2)c1
InChIInChI=1S/C23H21ClN4O3/c24-19-5-3-4-18(12-19)23(15-27-10-8-25-16-27)30-14-20(31-23)13-29-22-7-2-1-6-21(22)28-11-9-26-17-28/h1-12,16-17,20H,13-15H2
InChIKeyITHFSQUONBCTLW-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.07
Rot. Bonds7

About 1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole

1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole (PubChem CID 23335436) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole.

Molecular Properties

Compound Name1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole
PubChem CID23335436
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole
SMILESClc1cccc(C2(Cn3ccnc3)OCC(COc3ccccc3-n3ccnc3)O2)c1
InChIInChI=1S/C23H21ClN4O3/c24-19-5-3-4-18(12-19)23(15-27-10-8-25-16-27)30-14-20(31-23)13-29-22-7-2-1-6-21(22)28-11-9-26-17-28/h1-12,16-17,20H,13-15H2
InChIKeyITHFSQUONBCTLW-UHFFFAOYSA-N
XLogP4.07
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[2-[4-(4-chloro-2-methylphenoxy)phenyl]-4-(methoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 19737428
N-[2-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 12854786
1-[4-[[2-(4-chloro-2-methylphenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole
CID 23460920
1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole;dihydrochloride
CID 70575721
1-[[(2S,4S)-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 154680857
1-[[4-[(3,5-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 70590204
[(2R,4S)-2-(4-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl benzoate
CID 13263560
1-[[4-[(2-bromo-4-methylphenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 70589136
1-[4-[[2-(4-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]ethanone
CID 21318640
[5-chloro-2-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-4-methylphenyl]-phenylmethanone
CID 70588816
1-[[2-[4-(3,4-dichlorophenoxy)phenyl]-4-(methoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 54377201
1-[[(2S,4S)-2-(2,4-dichlorophenyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 54343351

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole?
The IUPAC name of 1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole (CID 23335436) is 1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole.
What is the SMILES notation for 1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole?
The canonical SMILES for 1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole is Clc1cccc(C2(Cn3ccnc3)OCC(COc3ccccc3-n3ccnc3)O2)c1.
What is the InChIKey of 1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole?
The InChIKey is ITHFSQUONBCTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c24-19-5-3-4-18(12-19)23(15-27-10-8-25-16-27)30-14-20(31-23)13-29-22-7-2-1-6-21(22)28-11-9-26-17-28/h1-12,16-17,20H,13-15H2.
What are the key properties of 1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole?
1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole has a molecular weight of 436.90 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole is sourced from PubChem (CID 23335436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).