N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C21H17N5O2S — CID 36568162

IUPACN-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CC(=O)N2CCn3c2nc2ccccc23)cs1)c1ccccc1
InChIInChI=1S/C21H17N5O2S/c27-18(26-11-10-25-17-9-5-4-8-16(17)23-21(25)26)12-15-13-29-20(22-15)24-19(28)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,22,24,28)
InChIKeyCPDRPBAIJHQTNP-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.33
Rot. Bonds4

About N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 36568162) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID36568162
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC NameN-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CC(=O)N2CCn3c2nc2ccccc23)cs1)c1ccccc1
InChIInChI=1S/C21H17N5O2S/c27-18(26-11-10-25-17-9-5-4-8-16(17)23-21(25)26)12-15-13-29-20(22-15)24-19(28)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,22,24,28)
InChIKeyCPDRPBAIJHQTNP-UHFFFAOYSA-N
XLogP3.33
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
CID 41483133
N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41377838
N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41160057
4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567922
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 38601875
1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49352343
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate
CID 27736090
N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 56517810

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 36568162) is N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(CC(=O)N2CCn3c2nc2ccccc23)cs1)c1ccccc1.
What is the InChIKey of N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CPDRPBAIJHQTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c27-18(26-11-10-25-17-9-5-4-8-16(17)23-21(25)26)12-15-13-29-20(22-15)24-19(28)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,22,24,28).
What are the key properties of N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 403.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 36568162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).