4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide

C22H26N6O3 — CID 171638152

IUPAC4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide
SMILESCc1noc(C)c1-c1cc(-c2c(C)nn(CCCC(N)=O)c2C)c2c(c1)[nH]c(=O)n2C
InChIInChI=1S/C22H26N6O3/c1-11-19(13(3)28(25-11)8-6-7-18(23)29)16-9-15(20-12(2)26-31-14(20)4)10-17-21(16)27(5)22(30)24-17/h9-10H,6-8H2,1-5H3,(H2,23,29)(H,24,30)
InChIKeyORVSIADCLRIXGA-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.88
Rot. Bonds6

About 4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide

4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide (PubChem CID 171638152) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide.

Molecular Properties

Compound Name4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide
PubChem CID171638152
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide
SMILESCc1noc(C)c1-c1cc(-c2c(C)nn(CCCC(N)=O)c2C)c2c(c1)[nH]c(=O)n2C
InChIInChI=1S/C22H26N6O3/c1-11-19(13(3)28(25-11)8-6-7-18(23)29)16-9-15(20-12(2)26-31-14(20)4)10-17-21(16)27(5)22(30)24-17/h9-10H,6-8H2,1-5H3,(H2,23,29)(H,24,30)
InChIKeyORVSIADCLRIXGA-UHFFFAOYSA-N
XLogP2.88
TPSA124.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide with MolForge

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Related Compounds

3,5-dimethyl-4-[2-methylsulfinyl-7-(1,3,5-trimethylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121293113
3-amino-5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one
CID 126692116
3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)-7-(1,3,5-trimethylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121293010
3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
CID 121293088
2-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-4-carboxamide
CID 141409165
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide
CID 121292986
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-prop-1-enylhexa-2,4-dienyl)-1H-benzimidazol-2-one
CID 123420974
methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3H-benzimidazol-1-yl]benzoate
CID 167061903
3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide
CID 131746672
5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-1,3-benzoxazol-2-one;4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one;4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1H-benzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(1,4-dimethylpyrazol-5-yl)-1,3-dihydrobenzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(1,4-dimethylpyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(6-methylquinolin-5-yl)-3H-1,3-benzoxazol-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1,3-dihydrobenzimidazol-2-one;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazol-4-yl]-1,6-dimethyl-3,4-dihydroquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 157151951
3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one
CID 170566423

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide?
The IUPAC name of 4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide (CID 171638152) is 4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide.
What is the SMILES notation for 4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide?
The canonical SMILES for 4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide is Cc1noc(C)c1-c1cc(-c2c(C)nn(CCCC(N)=O)c2C)c2c(c1)[nH]c(=O)n2C.
What is the InChIKey of 4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide?
The InChIKey is ORVSIADCLRIXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-11-19(13(3)28(25-11)8-6-7-18(23)29)16-9-15(20-12(2)26-31-14(20)4)10-17-21(16)27(5)22(30)24-17/h9-10H,6-8H2,1-5H3,(H2,23,29)(H,24,30).
What are the key properties of 4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide?
4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide has a molecular weight of 422.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-2-oxo-1H-benzimidazol-4-yl]-3,5-dimethylpyrazol-1-yl]butanamide is sourced from PubChem (CID 171638152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).