5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole

C12H11ClN2O — CID 169087975

IUPAC5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
SMILESClc1ccc2c(c1)C(c1cnc[nH]1)CCO2
InChIInChI=1S/C12H11ClN2O/c13-8-1-2-12-10(5-8)9(3-4-16-12)11-6-14-7-15-11/h1-2,5-7,9H,3-4H2,(H,14,15)
InChIKeySQHLEIJKAVOGDJ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.98
Rot. Bonds1

About 5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole

5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole (PubChem CID 169087975) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
PubChem CID169087975
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
SMILESClc1ccc2c(c1)C(c1cnc[nH]1)CCO2
InChIInChI=1S/C12H11ClN2O/c13-8-1-2-12-10(5-8)9(3-4-16-12)11-6-14-7-15-11/h1-2,5-7,9H,3-4H2,(H,14,15)
InChIKeySQHLEIJKAVOGDJ-UHFFFAOYSA-N
XLogP2.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
4-[3-(3-tert-Butyl-phenoxy)-propyl]-1H-imidazole
CID 11242364
4-[3-(3-Isopropyl-phenoxy)-propyl]-1H-imidazole
CID 11368548
4-[3-(3-Ethyl-phenoxy)-propyl]-1H-imidazole
CID 11817092
4-[2-(4-Chloro-phenoxy)-ethyl]-1H-imidazole
CID 10561026
4-((1H-imidazol-4-yl)methyl)-1-(3-(3-chlorophenoxy)propyl)piperidine
CID 44406392
1-[5-Chloro-7-(2-methyl-1H-imidazol-4-YL)-2,3-dihydro-1-benzofuran-2-YL]methanamine
CID 56713868
N-[(6-chloro-2H-chromen-3-yl)methyl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71873019
5-[3-(3-propylphenoxy)propyl]-1H-imidazole
CID 21193588
1H-Imidazole, 4-(4H-1,3-benzodioxin-8-ylmethyl)-, monohydrochloride
CID 3087968
1H-Imidazole, 4-(1-(4H-1,3-benzodioxin-8-yl)ethyl)-, (+-)-
CID 3087972
1H-Imidazole, 4-((2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl)-
CID 3087975

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The IUPAC name of 5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole (CID 169087975) is 5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The canonical SMILES for 5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole is Clc1ccc2c(c1)C(c1cnc[nH]1)CCO2.
What is the InChIKey of 5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The InChIKey is SQHLEIJKAVOGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-8-1-2-12-10(5-8)9(3-4-16-12)11-6-14-7-15-11/h1-2,5-7,9H,3-4H2,(H,14,15).
What are the key properties of 5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole has a molecular weight of 234.69 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole is sourced from PubChem (CID 169087975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).