6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one

C16H16N6O2 — CID 53005998

IUPAC6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(-c3noc(-c4ccnn4C)n3)ccc21
InChIInChI=1S/C16H16N6O2/c1-9(2)22-12-5-4-10(8-11(12)18-16(22)23)14-19-15(24-20-14)13-6-7-17-21(13)3/h4-9H,1-3H3,(H,18,23)
InChIKeyDGPVGYGYUCUZKO-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.36
Rot. Bonds3

About 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one

6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 53005998) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID53005998
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(-c3noc(-c4ccnn4C)n3)ccc21
InChIInChI=1S/C16H16N6O2/c1-9(2)22-12-5-4-10(8-11(12)18-16(22)23)14-19-15(24-20-14)13-6-7-17-21(13)3/h4-9H,1-3H3,(H,18,23)
InChIKeyDGPVGYGYUCUZKO-UHFFFAOYSA-N
XLogP2.36
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065761
6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
CID 53139359
3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
CID 53065755
4-(2-methylpropyl)-7-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-quinoxaline-2,3-dione
CID 53005973
6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065747
N-[4-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 53065740
6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065745
N-[(1R)-2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
CID 97043382
4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
CID 53065731
3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
CID 53065719
7-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-yl-1H-quinoxaline-2,3-dione
CID 53005967
4-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 62920467

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one (CID 53005998) is 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one is CC(C)n1c(=O)[nH]c2cc(-c3noc(-c4ccnn4C)n3)ccc21.
What is the InChIKey of 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is DGPVGYGYUCUZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-9(2)22-12-5-4-10(8-11(12)18-16(22)23)14-19-15(24-20-14)13-6-7-17-21(13)3/h4-9H,1-3H3,(H,18,23).
What are the key properties of 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one?
6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 324.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 53005998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).