6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one

C13H10Cl2N2O2 — CID 657803

IUPAC6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one
SMILESCn1c(Cl)cnc1C1CC(=O)c2cc(Cl)ccc2O1
InChIInChI=1S/C13H10Cl2N2O2/c1-17-12(15)6-16-13(17)11-5-9(18)8-4-7(14)2-3-10(8)19-11/h2-4,6,11H,5H2,1H3
InChIKeyBQUMGFRLVADWIE-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.43
Rot. Bonds1

About 6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one

6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one (PubChem CID 657803) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one
PubChem CID657803
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one
SMILESCn1c(Cl)cnc1C1CC(=O)c2cc(Cl)ccc2O1
InChIInChI=1S/C13H10Cl2N2O2/c1-17-12(15)6-16-13(17)11-5-9(18)8-4-7(14)2-3-10(8)19-11/h2-4,6,11H,5H2,1H3
InChIKeyBQUMGFRLVADWIE-UHFFFAOYSA-N
XLogP3.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-methoxyphenyl){1-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-piperidinyl}methanone
CID 16187764
2,3-dihydro-3-(1H-imidazol-1-yl)-4H-1-benzopyran-4-one
CID 12953637
6-Chloro-3-(1H-imidazol-1-yl)chroman-4-one
CID 12953639
3-Imidazol-1-yl-2-methyl-chroman-4-one
CID 13135443
3-Imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one
CID 13284880
7-Chloro-3-(1H-imidazol-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one
CID 15950346
(2S,3S)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one
CID 22828907
6-Chloro-3-(2-methylimidazol-1-yl)-2,3-dihydrochromen-4-one
CID 13573525
1-(6-chloro-4-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazole
CID 13573527
(2S,3S)-7-chloro-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one
CID 44410305
(2R)-6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one
CID 728355
2-[(1-acetyl-4-piperidinyl)oxy]-5-chloro-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]benzamide
CID 42098424

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one (CID 657803) is 6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one is Cn1c(Cl)cnc1C1CC(=O)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one?
The InChIKey is BQUMGFRLVADWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-17-12(15)6-16-13(17)11-5-9(18)8-4-7(14)2-3-10(8)19-11/h2-4,6,11H,5H2,1H3.
What are the key properties of 6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one?
6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one has a molecular weight of 297.14 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 657803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).