4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

C21H20N4O2S — CID 100560722

IUPAC4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)c3ccc(Cn4ccnc4)cc3)ccc21
InChIInChI=1S/C21H20N4O2S/c1-14(2)25-18-8-7-17(11-19(18)28-21(25)27)23-20(26)16-5-3-15(4-6-16)12-24-10-9-22-13-24/h3-11,13-14H,12H2,1-2H3,(H,23,26)
InChIKeyLXGJQVXMEQHEOT-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.14
Rot. Bonds5

About 4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 100560722) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
PubChem CID100560722
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCC(C)n1c(=O)sc2cc(NC(=O)c3ccc(Cn4ccnc4)cc3)ccc21
InChIInChI=1S/C21H20N4O2S/c1-14(2)25-18-8-7-17(11-19(18)28-21(25)27)23-20(26)16-5-3-15(4-6-16)12-24-10-9-22-13-24/h3-11,13-14H,12H2,1-2H3,(H,23,26)
InChIKeyLXGJQVXMEQHEOT-UHFFFAOYSA-N
XLogP4.14
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 100548253
4-[(2-methylimidazol-1-yl)methyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560997
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100549816
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100552032
4-[ethylsulfonyl(methyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100553547
3-chloro-4-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560387
3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100550125
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100559288
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (CID 100560722) is 4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(Cn4ccnc4)cc3)ccc21.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is LXGJQVXMEQHEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-14(2)25-18-8-7-17(11-19(18)28-21(25)27)23-20(26)16-5-3-15(4-6-16)12-24-10-9-22-13-24/h3-11,13-14H,12H2,1-2H3,(H,23,26).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 392.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 100560722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).