1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone

C22H15FN6OS — CID 36568275

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone
SMILESO=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C22H15FN6OS/c23-14-7-9-15(10-8-14)29-20(18-6-3-13-31-18)25-19(26-29)21(30)28-12-11-27-17-5-2-1-4-16(17)24-22(27)28/h1-10,13H,11-12H2
InChIKeyBALASGIOPXJDNB-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.14
Rot. Bonds3

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone (PubChem CID 36568275) has the molecular formula C22H15FN6OS and a molecular weight of 430.47 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone
PubChem CID36568275
Molecular FormulaC22H15FN6OS
Molecular Weight430.47 g/mol
Exact Mass430.10
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone
SMILESO=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C22H15FN6OS/c23-14-7-9-15(10-8-14)29-20(18-6-3-13-31-18)25-19(26-29)21(30)28-12-11-27-17-5-2-1-4-16(17)24-22(27)28/h1-10,13H,11-12H2
InChIKeyBALASGIOPXJDNB-UHFFFAOYSA-N
XLogP4.14
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 36568004
4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-2-one
CID 35795640
2-[4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543751
[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-(5-oxa-8-azaspiro[2.6]nonan-8-yl)methanone
CID 166207797
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 41466857
N-cyclopentyl-N-cyclopropyl-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 166198046
methyl 2-[[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]amino]-2-phenylacetate
CID 60610067
4-[[4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methyl]benzamide
CID 112826583
cyclopropyl-[4-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]morpholin-2-yl]methanone
CID 166181970
N-(4-acetamidocyclohexyl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 154805770
1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 17489181
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone
CID 112813247

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone?
The IUPAC name of 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) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone is O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCn2c1nc1ccccc12.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone?
The InChIKey is BALASGIOPXJDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6OS/c23-14-7-9-15(10-8-14)29-20(18-6-3-13-31-18)25-19(26-29)21(30)28-12-11-27-17-5-2-1-4-16(17)24-22(27)28/h1-10,13H,11-12H2.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone has a molecular weight of 430.47 g/mol, XLogP of 4.14, 3 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-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone is sourced from PubChem (CID 36568275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).