6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol

C12H11ClN2O2 — CID 58951608

IUPAC6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol
SMILESOC1(c2ncc[nH]2)CCOc2ccc(Cl)cc21
InChIInChI=1S/C12H11ClN2O2/c13-8-1-2-10-9(7-8)12(16,3-6-17-10)11-14-4-5-15-11/h1-2,4-5,7,16H,3,6H2,(H,14,15)
InChIKeyAXBPRRZENSOSBQ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.08
Rot. Bonds1

About 6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol

6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol (PubChem CID 58951608) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol
PubChem CID58951608
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol
SMILESOC1(c2ncc[nH]2)CCOc2ccc(Cl)cc21
InChIInChI=1S/C12H11ClN2O2/c13-8-1-2-10-9(7-8)12(16,3-6-17-10)11-14-4-5-15-11/h1-2,4-5,7,16H,3,6H2,(H,14,15)
InChIKeyAXBPRRZENSOSBQ-UHFFFAOYSA-N
XLogP2.08
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2,3-dihydrochromene-4-carboxamide
CID 13053015
6'-chlorospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione
CID 13014150
6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid
CID 135311490
(1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 128969666
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 71984268
4-(1H-imidazol-2-yl)oxane-4-carboxylic acid
CID 96757410
4-(2,5-dichlorophenyl)oxan-4-ol
CID 63220164
8-chloro-5-hydroxy-3,4-dihydro-2H-1-benzoxepine-5-carboxylic acid
CID 83672375
6-chloro-3'-isoquinolin-4-ylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 156906822
(4R)-4-amino-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906460
3-[5-(aminomethyl)-7-chloro-3,4-dihydro-2H-1-benzoxepin-5-yl]-N,N-dimethylpropan-1-amine
CID 82251815
6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol
CID 20530518

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol?
The IUPAC name of 6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol (CID 58951608) is 6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol?
The canonical SMILES for 6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol is OC1(c2ncc[nH]2)CCOc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol?
The InChIKey is AXBPRRZENSOSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-8-1-2-10-9(7-8)12(16,3-6-17-10)11-14-4-5-15-11/h1-2,4-5,7,16H,3,6H2,(H,14,15).
What are the key properties of 6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol?
6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol has a molecular weight of 250.69 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 58951608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).