2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole

C16H14Cl2N2O — CID 82240126

IUPAC2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccc(OCc2ccc(C3=NCCN3)cc2)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c17-13-5-6-15(14(18)9-13)21-10-11-1-3-12(4-2-11)16-19-7-8-20-16/h1-6,9H,7-8,10H2,(H,19,20)
InChIKeySROKPEZQTURWDU-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.92
Rot. Bonds4

About 2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole

2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82240126) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82240126
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccc(OCc2ccc(C3=NCCN3)cc2)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c17-13-5-6-15(14(18)9-13)21-10-11-1-3-12(4-2-11)16-19-7-8-20-16/h1-6,9H,7-8,10H2,(H,19,20)
InChIKeySROKPEZQTURWDU-UHFFFAOYSA-N
XLogP3.92
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252921
2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249999
2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82239981
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 110538768
2-[4-[(4-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240381
2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240282
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
2-[4-[(2-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82249692
8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline
CID 82240060
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110537997
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]methyl]-N,N-dimethylaniline
CID 82240251

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole (CID 82240126) is 2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole is Clc1ccc(OCc2ccc(C3=NCCN3)cc2)c(Cl)c1.
What is the InChIKey of 2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is SROKPEZQTURWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-13-5-6-15(14(18)9-13)21-10-11-1-3-12(4-2-11)16-19-7-8-20-16/h1-6,9H,7-8,10H2,(H,19,20).
What are the key properties of 2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 321.21 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82240126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).