1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone

C25H18N4OS — CID 112813260

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C25H18N4OS/c30-24(29-16-15-28-20-14-8-7-13-19(20)26-25(28)29)22-21(17-9-3-1-4-10-17)27-23(31-22)18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyDZTAJAWSQSEJNC-UHFFFAOYSA-N
MW422.51 g/mol
LogP5.49
Rot. Bonds3

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone (PubChem CID 112813260) has the molecular formula C25H18N4OS and a molecular weight of 422.51 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone
PubChem CID112813260
Molecular FormulaC25H18N4OS
Molecular Weight422.51 g/mol
Exact Mass422.12
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C25H18N4OS/c30-24(29-16-15-28-20-14-8-7-13-19(20)26-25(28)29)22-21(17-9-3-1-4-10-17)27-23(31-22)18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyDZTAJAWSQSEJNC-UHFFFAOYSA-N
XLogP5.49
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone
CID 791787
2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 136889078
(4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 2435970
2,4-diphenyl-N-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 9083928
(2,4-dichlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 975542
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602015
4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 131954927
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 126802488
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 36567968
(2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
CID 66504683
(1-aminocyclopentyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone;hydrochloride
CID 119265439

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone (CID 112813260) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone is O=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCn2c1nc1ccccc12.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is DZTAJAWSQSEJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4OS/c30-24(29-16-15-28-20-14-8-7-13-19(20)26-25(28)29)22-21(17-9-3-1-4-10-17)27-23(31-22)18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 422.51 g/mol, XLogP of 5.49, 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-(2,4-diphenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 112813260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).