4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one

C25H17N3O4S — CID 70129138

IUPAC4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12.c1ccc2[nH]c(-c3cscn3)nc2c1
InChIInChI=1S/C15H10O4.C10H7N3S/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-8,16-17H;1-6H,(H,12,13)
InChIKeyJRXZURFEKNKLES-UHFFFAOYSA-N
MW455.50 g/mol
LogP5.56
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one

4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one (PubChem CID 70129138) has the molecular formula C25H17N3O4S and a molecular weight of 455.50 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one
PubChem CID70129138
Molecular FormulaC25H17N3O4S
Molecular Weight455.50 g/mol
Exact Mass455.09
IUPAC Name4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12.c1ccc2[nH]c(-c3cscn3)nc2c1
InChIInChI=1S/C15H10O4.C10H7N3S/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-8,16-17H;1-6H,(H,12,13)
InChIKeyJRXZURFEKNKLES-UHFFFAOYSA-N
XLogP5.56
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.50
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one (CID 70129138) is 4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12.c1ccc2[nH]c(-c3cscn3)nc2c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one?
The InChIKey is JRXZURFEKNKLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4.C10H7N3S/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-8,16-17H;1-6H,(H,12,13).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one?
4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one has a molecular weight of 455.50 g/mol, XLogP of 5.56, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 70129138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).