2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole

C16H15ClN2O — CID 82249999

IUPAC2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESClc1cccc(COc2ccc(C3=NCCN3)cc2)c1
InChIInChI=1S/C16H15ClN2O/c17-14-3-1-2-12(10-14)11-20-15-6-4-13(5-7-15)16-18-8-9-19-16/h1-7,10H,8-9,11H2,(H,18,19)
InChIKeyZOHSUTWCMXVPAQ-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.27
Rot. Bonds4

About 2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole

2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82249999) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82249999
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESClc1cccc(COc2ccc(C3=NCCN3)cc2)c1
InChIInChI=1S/C16H15ClN2O/c17-14-3-1-2-12(10-14)11-20-15-6-4-13(5-7-15)16-18-8-9-19-16/h1-7,10H,8-9,11H2,(H,18,19)
InChIKeyZOHSUTWCMXVPAQ-UHFFFAOYSA-N
XLogP3.27
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82251895
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine
CID 82245169
2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 162335122
2,6-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine;dihydrochloride
CID 70695580
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249355
2-[4-[(4-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240381
2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240126
2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240383
1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
CID 58137546
5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 10613243
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
2-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82242139

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole (CID 82249999) is 2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole is Clc1cccc(COc2ccc(C3=NCCN3)cc2)c1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is ZOHSUTWCMXVPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-14-3-1-2-12(10-14)11-20-15-6-4-13(5-7-15)16-18-8-9-19-16/h1-7,10H,8-9,11H2,(H,18,19).
What are the key properties of 2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 286.76 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82249999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).