1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone

C23H18N4O2S2 — CID 112813255

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone
SMILESCc1csc(SCc2c(C(=O)N3CCn4c3nc3ccccc34)oc3ccccc23)n1
InChIInChI=1S/C23H18N4O2S2/c1-14-12-30-23(24-14)31-13-16-15-6-2-5-9-19(15)29-20(16)21(28)27-11-10-26-18-8-4-3-7-17(18)25-22(26)27/h2-9,12H,10-11,13H2,1H3
InChIKeyHODOXGVQYCVNGR-UHFFFAOYSA-N
MW446.56 g/mol
LogP5.50
Rot. Bonds4

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone (PubChem CID 112813255) has the molecular formula C23H18N4O2S2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone
PubChem CID112813255
Molecular FormulaC23H18N4O2S2
Molecular Weight446.56 g/mol
Exact Mass446.09
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone
SMILESCc1csc(SCc2c(C(=O)N3CCn4c3nc3ccccc34)oc3ccccc23)n1
InChIInChI=1S/C23H18N4O2S2/c1-14-12-30-23(24-14)31-13-16-15-6-2-5-9-19(15)29-20(16)21(28)27-11-10-26-18-8-4-3-7-17(18)25-22(26)27/h2-9,12H,10-11,13H2,1H3
InChIKeyHODOXGVQYCVNGR-UHFFFAOYSA-N
XLogP5.50
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide
CID 25232347
N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2603902
4-(1-Benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166632835
N-[1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 4881668
1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 166634865
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 53393838
4-(1-Benzofuran-2-yl)-2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166630627
Benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone
CID 2145419
N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 4878652
N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide
CID 59225730
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3752942
2-[1-Benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 8717911

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone (CID 112813255) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone is Cc1csc(SCc2c(C(=O)N3CCn4c3nc3ccccc34)oc3ccccc23)n1.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone?
The InChIKey is HODOXGVQYCVNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S2/c1-14-12-30-23(24-14)31-13-16-15-6-2-5-9-19(15)29-20(16)21(28)27-11-10-26-18-8-4-3-7-17(18)25-22(26)27/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone has a molecular weight of 446.56 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 112813255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).