1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone

C20H15FN4OS — CID 126802488

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(Cc2ccccc2F)s1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C20H15FN4OS/c21-14-6-2-1-5-13(14)11-18-22-12-17(27-18)19(26)25-10-9-24-16-8-4-3-7-15(16)23-20(24)25/h1-8,12H,9-11H2
InChIKeyKNRQABWDWJNRIY-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.88
Rot. Bonds3

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone (PubChem CID 126802488) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
PubChem CID126802488
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(Cc2ccccc2F)s1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C20H15FN4OS/c21-14-6-2-1-5-13(14)11-18-22-12-17(27-18)19(26)25-10-9-24-16-8-4-3-7-15(16)23-20(24)25/h1-8,12H,9-11H2
InChIKeyKNRQABWDWJNRIY-UHFFFAOYSA-N
XLogP3.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-2-fluorophenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone
CID 146022552
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 36566276
(2,4-dichlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 975542
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone
CID 112813260
N-cyclohexyl-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide
CID 7504061
N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 7711105
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 54977606
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 36568004
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 36567968
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602015
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78530236
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone
CID 36568275

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone (CID 126802488) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone is O=C(c1cnc(Cc2ccccc2F)s1)N1CCn2c1nc1ccccc12.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone?
The InChIKey is KNRQABWDWJNRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c21-14-6-2-1-5-13(14)11-18-22-12-17(27-18)19(26)25-10-9-24-16-8-4-3-7-15(16)23-20(24)25/h1-8,12H,9-11H2.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone has a molecular weight of 378.43 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 126802488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).