[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone

C19H17ClN2O2 — CID 18332482

IUPAC[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone
SMILESCc1cc(Cl)ccc1OCc1ccccc1C(=O)c1nccn1C
InChIInChI=1S/C19H17ClN2O2/c1-13-11-15(20)7-8-17(13)24-12-14-5-3-4-6-16(14)18(23)19-21-9-10-22(19)2/h3-11H,12H2,1-2H3
InChIKeyDSUIFIQGBHGJBL-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.19
Rot. Bonds5

About [2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone

[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone (PubChem CID 18332482) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is [2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone
PubChem CID18332482
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone
SMILESCc1cc(Cl)ccc1OCc1ccccc1C(=O)c1nccn1C
InChIInChI=1S/C19H17ClN2O2/c1-13-11-15(20)7-8-17(13)24-12-14-5-3-4-6-16(14)18(23)19-21-9-10-22(19)2/h3-11H,12H2,1-2H3
InChIKeyDSUIFIQGBHGJBL-UHFFFAOYSA-N
XLogP4.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone (CID 18332482) is [2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone is Cc1cc(Cl)ccc1OCc1ccccc1C(=O)c1nccn1C.
What is the InChIKey of [2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is DSUIFIQGBHGJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-13-11-15(20)7-8-17(13)24-12-14-5-3-4-6-16(14)18(23)19-21-9-10-22(19)2/h3-11H,12H2,1-2H3.
What are the key properties of [2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone?
[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 340.81 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 18332482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).