2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide

C23H23N5O3S — CID 100756612

IUPAC2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
SMILESO=C(Cc1sc(N2CCOCC2)nc1-c1ccccc1)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C23H23N5O3S/c29-20(24-14-15-6-7-17-18(12-15)26-22(30)25-17)13-19-21(16-4-2-1-3-5-16)27-23(32-19)28-8-10-31-11-9-28/h1-7,12H,8-11,13-14H2,(H,24,29)(H2,25,26,30)
InChIKeyXTUFEMKUGKHOSB-UHFFFAOYSA-N
MW449.54 g/mol
LogP2.68
Rot. Bonds6

About 2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide

2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide (PubChem CID 100756612) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
PubChem CID100756612
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
SMILESO=C(Cc1sc(N2CCOCC2)nc1-c1ccccc1)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C23H23N5O3S/c29-20(24-14-15-6-7-17-18(12-15)26-22(30)25-17)13-19-21(16-4-2-1-3-5-16)27-23(32-19)28-8-10-31-11-9-28/h1-7,12H,8-11,13-14H2,(H,24,29)(H2,25,26,30)
InChIKeyXTUFEMKUGKHOSB-UHFFFAOYSA-N
XLogP2.68
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 129398655
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 155948063
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 90648940
N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55887472
5-hydroxypentyl 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxylate
CID 167862109
2-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 2144787
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772085
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791178
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 75477078
2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285
1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea
CID 50836351

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide (CID 100756612) is 2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide is O=C(Cc1sc(N2CCOCC2)nc1-c1ccccc1)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide?
The InChIKey is XTUFEMKUGKHOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c29-20(24-14-15-6-7-17-18(12-15)26-22(30)25-17)13-19-21(16-4-2-1-3-5-16)27-23(32-19)28-8-10-31-11-9-28/h1-7,12H,8-11,13-14H2,(H,24,29)(H2,25,26,30).
What are the key properties of 2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide?
2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide has a molecular weight of 449.54 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide is sourced from PubChem (CID 100756612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).