[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol

C24H21N5O2S — CID 86281480

IUPAC[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol
SMILESCc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2nccs2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C24H21N5O2S/c1-13-20(14(2)31-29-13)16-11-17(21-18(12-16)27-22(28-21)15-6-7-15)24(30,23-26-9-10-32-23)19-5-3-4-8-25-19/h3-5,8-12,15,30H,6-7H2,1-2H3,(H,27,28)
InChIKeyDATZCJIUMYAWKO-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.85
Rot. Bonds5

About [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol

[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol (PubChem CID 86281480) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol
PubChem CID86281480
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC Name[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol
SMILESCc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2nccs2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C24H21N5O2S/c1-13-20(14(2)31-29-13)16-11-17(21-18(12-16)27-22(28-21)15-6-7-15)24(30,23-26-9-10-32-23)19-5-3-4-8-25-19/h3-5,8-12,15,30H,6-7H2,1-2H3,(H,27,28)
InChIKeyDATZCJIUMYAWKO-UHFFFAOYSA-N
XLogP4.85
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol?
The IUPAC name of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol (CID 86281480) is [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol is Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2nccs2)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol?
The InChIKey is DATZCJIUMYAWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-13-20(14(2)31-29-13)16-11-17(21-18(12-16)27-22(28-21)15-6-7-15)24(30,23-26-9-10-32-23)19-5-3-4-8-25-19/h3-5,8-12,15,30H,6-7H2,1-2H3,(H,27,28).
What are the key properties of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol?
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol has a molecular weight of 443.53 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 86281480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).