4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one

C15H13ClN6O2 — CID 146146740

IUPAC4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1nn(C)c(Cl)c1Cc1noc(-c2cccc3[nH]c(=O)[nH]c23)n1
InChIInChI=1S/C15H13ClN6O2/c1-7-9(13(16)22(2)20-7)6-11-18-14(24-21-11)8-4-3-5-10-12(8)19-15(23)17-10/h3-5H,6H2,1-2H3,(H2,17,19,23)
InChIKeyMPFRCSCXDZDASA-UHFFFAOYSA-N
MW344.76 g/mol
LogP2.19
Rot. Bonds3

About 4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one

4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 146146740) has the molecular formula C15H13ClN6O2 and a molecular weight of 344.76 g/mol. Its IUPAC name is 4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID146146740
Molecular FormulaC15H13ClN6O2
Molecular Weight344.76 g/mol
Exact Mass344.08
IUPAC Name4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1nn(C)c(Cl)c1Cc1noc(-c2cccc3[nH]c(=O)[nH]c23)n1
InChIInChI=1S/C15H13ClN6O2/c1-7-9(13(16)22(2)20-7)6-11-18-14(24-21-11)8-4-3-5-10-12(8)19-15(23)17-10/h3-5H,6H2,1-2H3,(H2,17,19,23)
InChIKeyMPFRCSCXDZDASA-UHFFFAOYSA-N
XLogP2.19
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one (CID 146146740) is 4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one is Cc1nn(C)c(Cl)c1Cc1noc(-c2cccc3[nH]c(=O)[nH]c23)n1.
What is the InChIKey of 4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MPFRCSCXDZDASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O2/c1-7-9(13(16)22(2)20-7)6-11-18-14(24-21-11)8-4-3-5-10-12(8)19-15(23)17-10/h3-5H,6H2,1-2H3,(H2,17,19,23).
What are the key properties of 4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one?
4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 344.76 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 146146740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).