6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole

C32H18N6O2S2 — CID 141065934

IUPAC6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole
SMILESC1=CC(c2c(-c3csnn3)c(-c3nc4ccccc4[nH]3)cc3oc(-c4nc5ccccc5s4)nc23)Oc2ccccc21
InChIInChI=1S/C32H18N6O2S2/c1-5-11-23-17(7-1)13-14-24(39-23)28-27(22-16-41-38-37-22)18(30-33-19-8-2-3-9-20(19)34-30)15-25-29(28)36-31(40-25)32-35-21-10-4-6-12-26(21)42-32/h1-16,24H,(H,33,34)
InChIKeyOVUZUGUAWQLCTM-UHFFFAOYSA-N
MW582.67 g/mol
LogP8.31
Rot. Bonds4

About 6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole

6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole (PubChem CID 141065934) has the molecular formula C32H18N6O2S2 and a molecular weight of 582.67 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole
PubChem CID141065934
Molecular FormulaC32H18N6O2S2
Molecular Weight582.67 g/mol
Exact Mass582.09
IUPAC Name6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole
SMILESC1=CC(c2c(-c3csnn3)c(-c3nc4ccccc4[nH]3)cc3oc(-c4nc5ccccc5s4)nc23)Oc2ccccc21
InChIInChI=1S/C32H18N6O2S2/c1-5-11-23-17(7-1)13-14-24(39-23)28-27(22-16-41-38-37-22)18(30-33-19-8-2-3-9-20(19)34-30)15-25-29(28)36-31(40-25)32-35-21-10-4-6-12-26(21)42-32/h1-16,24H,(H,33,34)
InChIKeyOVUZUGUAWQLCTM-UHFFFAOYSA-N
XLogP8.31
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.67
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[7-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-4-(2-benzylsulfanylphenyl)-3-(1H-indol-2-yl)-2H-1,3-benzothiazol-5-yl]-1,3-benzoxazole
CID 91045967
3-(azocin-2-yl)-7-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-(2-benzylsulfanylphenyl)-2H-1,3-benzoxazole
CID 91336443
4-[5-(1,3-benzothiazol-4-yl)hexan-2-yl]-2-(7-propan-2-yl-3H-benzimidazol-5-yl)-1,3-benzoxazole
CID 134314966
2-[4-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]-1,3-benzoxazole
CID 136657836
2-[2-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-yl)-3-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-3,4-dihydronaphthalen-2-yl]-1,3-benzoxazole
CID 140981320
2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-1H-benzimidazol-2-yl]-1,3-benzoxazole
CID 140991667
6-(1H-benzimidazol-2-yl)-5-(1,3-benzoselenazol-2-yl)-3-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-yl)chromen-4-one
CID 141015826
2-[2-(1H-benzimidazol-2-yl)-5-(1,2,3-benzothiadiazol-4-yl)-6-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole
CID 141036240
2-[7-(1,2-benzothiazol-3-yl)-6-(1,3-benzothiazol-2-yl)-2-(1,2-benzoxazol-3-yl)-1H-benzimidazol-5-yl]-1,3-benzoxazole
CID 141037705
4-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-5-(1-benzothiophen-2-yl)-1,3-benzoxazole
CID 141050981
6-(1H-benzimidazol-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(furan-2-yl)-3,5-bis(1H-indol-2-yl)chromen-2-one
CID 141056962
2-[3-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-6-(1H-imidazol-2-yl)-5-(oxadiazol-4-yl)-4-(1H-pyrrol-2-yl)phenyl]-1,3-benzoxazole
CID 141060249

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole (CID 141065934) is 6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole is C1=CC(c2c(-c3csnn3)c(-c3nc4ccccc4[nH]3)cc3oc(-c4nc5ccccc5s4)nc23)Oc2ccccc21.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole?
The InChIKey is OVUZUGUAWQLCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N6O2S2/c1-5-11-23-17(7-1)13-14-24(39-23)28-27(22-16-41-38-37-22)18(30-33-19-8-2-3-9-20(19)34-30)15-25-29(28)36-31(40-25)32-35-21-10-4-6-12-26(21)42-32/h1-16,24H,(H,33,34).
What are the key properties of 6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole?
6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole has a molecular weight of 582.67 g/mol, XLogP of 8.31, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-(2H-chromen-2-yl)-5-(thiadiazol-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 141065934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).