6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one

C19H22N4O2 — CID 176984760

IUPAC6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(C1CCCC(=O)N1C)n2C
InChIInChI=1S/C19H22N4O2/c1-11-18(12(2)25-21-11)13-8-9-15-14(10-13)20-19(23(15)4)16-6-5-7-17(24)22(16)3/h8-10,16H,5-7H2,1-4H3
InChIKeyOJDWLGCAPYXZCA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.53
Rot. Bonds2

About 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one

6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one (PubChem CID 176984760) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one
PubChem CID176984760
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(C1CCCC(=O)N1C)n2C
InChIInChI=1S/C19H22N4O2/c1-11-18(12(2)25-21-11)13-8-9-15-14(10-13)20-19(23(15)4)16-6-5-7-17(24)22(16)3/h8-10,16H,5-7H2,1-4H3
InChIKeyOJDWLGCAPYXZCA-UHFFFAOYSA-N
XLogP3.53
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-6-[1-cyclobutyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-dichlorophenyl)piperidin-2-one
CID 134457535
(6R)-6-[1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one
CID 171414140
1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one
CID 139035552
(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one
CID 134457482
(6S)-1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-oxaspiro[3.5]nonan-7-yl)benzimidazol-2-yl]piperidin-2-one
CID 171414195
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)benzimidazol-2-yl]-1-(2-methylpyrimidin-5-yl)piperidin-2-one
CID 175514081
(6S)-1-(3,4-difluorophenyl)-6-[1-[4-(dimethylamino)-3-fluorophenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one
CID 167061450
6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 154948398
(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 134457368
5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 154948654
4-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]benzamide
CID 167061937
1-(4-chloro-3-fluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one
CID 154948610

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one?
The IUPAC name of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one (CID 176984760) is 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one.
What is the SMILES notation for 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one?
The canonical SMILES for 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one is Cc1noc(C)c1-c1ccc2c(c1)nc(C1CCCC(=O)N1C)n2C.
What is the InChIKey of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one?
The InChIKey is OJDWLGCAPYXZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-11-18(12(2)25-21-11)13-8-9-15-14(10-13)20-19(23(15)4)16-6-5-7-17(24)22(16)3/h8-10,16H,5-7H2,1-4H3.
What are the key properties of 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one?
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one has a molecular weight of 338.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylbenzimidazol-2-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 176984760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).