1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole

C19H17ClN2O2 — CID 57340034

IUPAC1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole
SMILESCOc1ccc2c(c1)OC(c1ccc(Cl)cc1)CC2n1ccnc1
InChIInChI=1S/C19H17ClN2O2/c1-23-15-6-7-16-17(22-9-8-21-12-22)11-18(24-19(16)10-15)13-2-4-14(20)5-3-13/h2-10,12,17-18H,11H2,1H3
InChIKeyOJGDRCGNIWYTLG-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.66
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole

1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole (PubChem CID 57340034) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole
PubChem CID57340034
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole
SMILESCOc1ccc2c(c1)OC(c1ccc(Cl)cc1)CC2n1ccnc1
InChIInChI=1S/C19H17ClN2O2/c1-23-15-6-7-16-17(22-9-8-21-12-22)11-18(24-19(16)10-15)13-2-4-14(20)5-3-13/h2-10,12,17-18H,11H2,1H3
InChIKeyOJGDRCGNIWYTLG-UHFFFAOYSA-N
XLogP4.66
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Croconazole
CID 2880
1-(7-Methoxy-2-phenyl-chroman-4-yl)-1H-imidazole
CID 10267149
4-Imidazol-1-yl-2-phenyl-chroman-7-ol
CID 11779089
2,4-Trans-4'-hydroxy-4-imidazolyl-7-methoxyflavan, 3d
CID 54580299
2,4-Trans-4'-cyano-4-imidazolyl-7-methoxyflavan, 3c
CID 54587195
Croconazole Hydrochloride
CID 147519
2,4-Trans-3'-hydroxy-4-imidazolyl-7-methoxyflavan, 3a
CID 57340033
2,4-Trans-4',7-dihydroxy-4-imidazolyl-7-methoxyflavan, 3e
CID 57340035
1-[(4-Chloro-phenyl)-(4-methoxy-phenyl)-methyl]-1H-imidazole
CID 44356594
7-[(3-Chlorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one
CID 51355430
7-[(4-Chlorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one
CID 51355703
7-(3-Chlorophenoxy)-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one
CID 51355709

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole?
The IUPAC name of 1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole (CID 57340034) is 1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole is COc1ccc2c(c1)OC(c1ccc(Cl)cc1)CC2n1ccnc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole?
The InChIKey is OJGDRCGNIWYTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-23-15-6-7-16-17(22-9-8-21-12-22)11-18(24-19(16)10-15)13-2-4-14(20)5-3-13/h2-10,12,17-18H,11H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole?
1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole has a molecular weight of 340.81 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]imidazole is sourced from PubChem (CID 57340034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).