1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one

C11H10Cl2N2O — CID 116624451

IUPAC1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one
SMILESCn1ccn(Cc2cc(Cl)ccc2Cl)c1=O
InChIInChI=1S/C11H10Cl2N2O/c1-14-4-5-15(11(14)16)7-8-6-9(12)2-3-10(8)13/h2-6H,7H2,1H3
InChIKeyMELKYQCUTVZXJO-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.54
Rot. Bonds2

About 1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one

1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one (PubChem CID 116624451) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one
PubChem CID116624451
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one
SMILESCn1ccn(Cc2cc(Cl)ccc2Cl)c1=O
InChIInChI=1S/C11H10Cl2N2O/c1-14-4-5-15(11(14)16)7-8-6-9(12)2-3-10(8)13/h2-6H,7H2,1H3
InChIKeyMELKYQCUTVZXJO-UHFFFAOYSA-N
XLogP2.54
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-amino-2-chlorophenyl)methyl]-3-methylimidazol-2-one
CID 80579178
1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one
CID 80581931
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylimidazol-2-one
CID 116624629
3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one
CID 65317704
3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 102974838
1-[(2-chloro-5-nitrophenyl)methyl]-4-methylpyrazine-2,3-dione
CID 62929785
2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole
CID 142735286
4-fluoro-3-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
CID 107459017
1-[(2-chlorophenyl)methyl]-3-ethylimidazol-2-one
CID 116624300
1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one
CID 131071044
1-[2-(4-chloroanilino)ethyl]-3-methylimidazol-2-one
CID 80582550
5-bromo-1-[(2,5-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 65321201

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one (CID 116624451) is 1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one is Cn1ccn(Cc2cc(Cl)ccc2Cl)c1=O.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one?
The InChIKey is MELKYQCUTVZXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-14-4-5-15(11(14)16)7-8-6-9(12)2-3-10(8)13/h2-6H,7H2,1H3.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one?
1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one has a molecular weight of 257.12 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-3-methylimidazol-2-one is sourced from PubChem (CID 116624451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).