N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide

C22H20N4O2S — CID 166233055

IUPACN-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)Nc3ccc(OCCn4ccnc4)cc3)c2)cs1
InChIInChI=1S/C22H20N4O2S/c1-16-24-21(14-29-16)17-3-2-4-18(13-17)22(27)25-19-5-7-20(8-6-19)28-12-11-26-10-9-23-15-26/h2-10,13-15H,11-12H2,1H3,(H,25,27)
InChIKeyVQQLXEZXPTYGIZ-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.65
Rot. Bonds7

About N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide

N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 166233055) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID166233055
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)Nc3ccc(OCCn4ccnc4)cc3)c2)cs1
InChIInChI=1S/C22H20N4O2S/c1-16-24-21(14-29-16)17-3-2-4-18(13-17)22(27)25-19-5-7-20(8-6-19)28-12-11-26-10-9-23-15-26/h2-10,13-15H,11-12H2,1H3,(H,25,27)
InChIKeyVQQLXEZXPTYGIZ-UHFFFAOYSA-N
XLogP4.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727275
N-[4-(2-imidazol-1-ylethoxy)phenyl]-2,7-dimethylquinoline-3-carboxamide
CID 166198748
N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide
CID 13219174
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 155947569
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26953328
N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-methyl-3-nitrobenzamide
CID 47045463
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
N-[3-(3-imidazol-1-ylpropoxy)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11295089
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 166233055) is N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2cccc(C(=O)Nc3ccc(OCCn4ccnc4)cc3)c2)cs1.
What is the InChIKey of N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is VQQLXEZXPTYGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-16-24-21(14-29-16)17-3-2-4-18(13-17)22(27)25-19-5-7-20(8-6-19)28-12-11-26-10-9-23-15-26/h2-10,13-15H,11-12H2,1H3,(H,25,27).
What are the key properties of N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 404.50 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 166233055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).