6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one

C12H9ClN2O2 — CID 12953639

IUPAC6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2cc(Cl)ccc2OCC1n1ccnc1
InChIInChI=1S/C12H9ClN2O2/c13-8-1-2-11-9(5-8)12(16)10(6-17-11)15-4-3-14-7-15/h1-5,7,10H,6H2
InChIKeyFMCUUGMWUKGYRJ-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.35
Rot. Bonds1

About 6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one

6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one (PubChem CID 12953639) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one
PubChem CID12953639
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2cc(Cl)ccc2OCC1n1ccnc1
InChIInChI=1S/C12H9ClN2O2/c13-8-1-2-11-9(5-8)12(16)10(6-17-11)15-4-3-14-7-15/h1-5,7,10H,6H2
InChIKeyFMCUUGMWUKGYRJ-UHFFFAOYSA-N
XLogP2.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one
CID 657803
2-(Imidazol-1-ylmethyl)chromen-4-one
CID 22406650
3-Chloro-6-(imidazol-1-ylmethyl)xanthen-9-one
CID 145965429
(5-chloro-2-methoxyphenyl){1-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-piperidinyl}methanone
CID 16187764
3-Imidazol-1-yl-7-methoxy-2,3-dihydrochromen-4-one
CID 12953633
2,3-dihydro-3-(1H-imidazol-1-yl)-4H-1-benzopyran-4-one
CID 12953637
3-(1H-Imidazol-1-yl)-6-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
CID 12953638
3-Imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one
CID 12953640
6-Bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one
CID 12953644
3-(1-imidazolyl)-2,3-dihydro-6-hydroxy-4H-1-benzopyran-4-one
CID 12953647
3-(1-imidazolyl)-2,3-dihydro-6-chloro-4H-1-benzopyran-4-ol
CID 12953648
3-Imidazol-1-yl-2-methyl-chroman-4-one
CID 13135443

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one (CID 12953639) is 6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one is O=C1c2cc(Cl)ccc2OCC1n1ccnc1.
What is the InChIKey of 6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The InChIKey is FMCUUGMWUKGYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-8-1-2-11-9(5-8)12(16)10(6-17-11)15-4-3-14-7-15/h1-5,7,10H,6H2.
What are the key properties of 6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one has a molecular weight of 248.67 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-imidazol-1-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12953639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).