2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole

C18H19ClN2O — CID 82239981

IUPAC2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESCc1cc(OCc2ccc(C3=NCCN3)cc2)cc(C)c1Cl
InChIInChI=1S/C18H19ClN2O/c1-12-9-16(10-13(2)17(12)19)22-11-14-3-5-15(6-4-14)18-20-7-8-21-18/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,21)
InChIKeyGZMPVULQHQTWGN-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.89
Rot. Bonds4

About 2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole

2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82239981) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82239981
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESCc1cc(OCc2ccc(C3=NCCN3)cc2)cc(C)c1Cl
InChIInChI=1S/C18H19ClN2O/c1-12-9-16(10-13(2)17(12)19)22-11-14-3-5-15(6-4-14)18-20-7-8-21-18/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,21)
InChIKeyGZMPVULQHQTWGN-UHFFFAOYSA-N
XLogP3.89
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole (CID 82239981) is 2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole is Cc1cc(OCc2ccc(C3=NCCN3)cc2)cc(C)c1Cl.
What is the InChIKey of 2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is GZMPVULQHQTWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-12-9-16(10-13(2)17(12)19)22-11-14-3-5-15(6-4-14)18-20-7-8-21-18/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 314.82 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82239981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).