2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone

C21H17N3O2S — CID 157315843

IUPAC2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
SMILESCOc1cccc(-c2cnc(-c3ccc(CC(=O)c4cscn4)cc3)[nH]2)c1
InChIInChI=1S/C21H17N3O2S/c1-26-17-4-2-3-16(10-17)18-11-22-21(24-18)15-7-5-14(6-8-15)9-20(25)19-12-27-13-23-19/h2-8,10-13H,9H2,1H3,(H,22,24)
InChIKeyBDORRUSULNZQGQ-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.63
Rot. Bonds6

About 2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone

2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone (PubChem CID 157315843) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
PubChem CID157315843
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
SMILESCOc1cccc(-c2cnc(-c3ccc(CC(=O)c4cscn4)cc3)[nH]2)c1
InChIInChI=1S/C21H17N3O2S/c1-26-17-4-2-3-16(10-17)18-11-22-21(24-18)15-7-5-14(6-8-15)9-20(25)19-12-27-13-23-19/h2-8,10-13H,9H2,1H3,(H,22,24)
InChIKeyBDORRUSULNZQGQ-UHFFFAOYSA-N
XLogP4.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-(3-chlorophenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
CID 159370783
2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[4-[2-(3-methylphenyl)-1-prop-2-ynylimidazol-4-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
CID 158721748
5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
CID 46089767
2-[4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenyl]-1-(1,3-oxazol-4-yl)ethanone
CID 158872893
1-(1,3-oxazol-4-yl)-2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]ethanone
CID 158159036
2-(1H-imidazol-2-yl)-5-(3-methoxyphenyl)-1H-imidazole
CID 19696853
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
CID 92772191
N-[4-[2-(3-methoxyphenyl)-1H-imidazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 90149411
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
CID 70196692
2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881507
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 70785248

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone (CID 157315843) is 2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone is COc1cccc(-c2cnc(-c3ccc(CC(=O)c4cscn4)cc3)[nH]2)c1.
What is the InChIKey of 2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone?
The InChIKey is BDORRUSULNZQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-26-17-4-2-3-16(10-17)18-11-22-21(24-18)15-7-5-14(6-8-15)9-20(25)19-12-27-13-23-19/h2-8,10-13H,9H2,1H3,(H,22,24).
What are the key properties of 2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone?
2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone has a molecular weight of 375.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 157315843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).