6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one

C17H18N4O2 — CID 142331155

IUPAC6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one
SMILESCc1noc(C)c1-c1ccc2nc(C3CCCC(=O)N3)[nH]c2c1
InChIInChI=1S/C17H18N4O2/c1-9-16(10(2)23-21-9)11-6-7-12-14(8-11)20-17(19-12)13-4-3-5-15(22)18-13/h6-8,13H,3-5H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyRKQJCBMARJHUGD-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.18
Rot. Bonds2

About 6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one

6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one (PubChem CID 142331155) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one.

Molecular Properties

Compound Name6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one
PubChem CID142331155
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one
SMILESCc1noc(C)c1-c1ccc2nc(C3CCCC(=O)N3)[nH]c2c1
InChIInChI=1S/C17H18N4O2/c1-9-16(10(2)23-21-9)11-6-7-12-14(8-11)20-17(19-12)13-4-3-5-15(22)18-13/h6-8,13H,3-5H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyRKQJCBMARJHUGD-UHFFFAOYSA-N
XLogP3.18
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one?
The IUPAC name of 6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one (CID 142331155) is 6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one.
What is the SMILES notation for 6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one?
The canonical SMILES for 6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one is Cc1noc(C)c1-c1ccc2nc(C3CCCC(=O)N3)[nH]c2c1.
What is the InChIKey of 6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one?
The InChIKey is RKQJCBMARJHUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-9-16(10(2)23-21-9)11-6-7-12-14(8-11)20-17(19-12)13-4-3-5-15(22)18-13/h6-8,13H,3-5H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one?
6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one has a molecular weight of 310.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]piperidin-2-one is sourced from PubChem (CID 142331155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).