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

C15H15ClN2O2 — CID 134097961

IUPAC6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one
SMILESCCCC1Oc2ccc(Cl)cc2C(=O)C1n1ccnc1
InChIInChI=1S/C15H15ClN2O2/c1-2-3-13-14(18-7-6-17-9-18)15(19)11-8-10(16)4-5-12(11)20-13/h4-9,13-14H,2-3H2,1H3
InChIKeyUEZWZGDWZYVOBB-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.52
Rot. Bonds3

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

6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one (PubChem CID 134097961) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one
PubChem CID134097961
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one
SMILESCCCC1Oc2ccc(Cl)cc2C(=O)C1n1ccnc1
InChIInChI=1S/C15H15ClN2O2/c1-2-3-13-14(18-7-6-17-9-18)15(19)11-8-10(16)4-5-12(11)20-13/h4-9,13-14H,2-3H2,1H3
InChIKeyUEZWZGDWZYVOBB-UHFFFAOYSA-N
XLogP3.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-propyl-1-benzofuran-3-one
CID 83049384
(2R,3S)-6-chloro-2-methyl-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-one
CID 95987500
(Z,2S,3R)-7-chloro-N-[(2,4-dichlorophenyl)methoxy]-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-imine
CID 16728313
6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol
CID 20530518
(2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one
CID 70456642
5-chloro-2-(1H-imidazol-2-ylmethyl)-1-benzofuran-3-one
CID 20523140
6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 23465685
5-chloro-3-propyl-3H-2-benzofuran-1-one
CID 10104567
2-tert-butyl-6-chloro-2,3-dihydrochromen-4-one
CID 114672894
6,7-dichloro-2-propyl-1-benzofuran-3-one
CID 83050001
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95313053
6-chloro-2-(2,2-dimethylpropyl)-2,3-dihydrochromen-4-one
CID 114673000

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one (CID 134097961) is 6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one is CCCC1Oc2ccc(Cl)cc2C(=O)C1n1ccnc1.
What is the InChIKey of 6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one?
The InChIKey is UEZWZGDWZYVOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-3-13-14(18-7-6-17-9-18)15(19)11-8-10(16)4-5-12(11)20-13/h4-9,13-14H,2-3H2,1H3.
What are the key properties of 6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one?
6-chloro-3-imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one has a molecular weight of 290.75 g/mol, XLogP of 3.52, 3 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-propyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 134097961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).