3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one

C21H21N3O2 — CID 121375958

IUPAC3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(Cc2ccccc2)c2cc(-c3c(C)noc3C)ccc21
InChIInChI=1S/C21H21N3O2/c1-4-23-18-11-10-17(20-14(2)22-26-15(20)3)12-19(18)24(21(23)25)13-16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3
InChIKeyFRTXUQOSCVCPHK-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.14
Rot. Bonds4

About 3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one

3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one (PubChem CID 121375958) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one
PubChem CID121375958
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(Cc2ccccc2)c2cc(-c3c(C)noc3C)ccc21
InChIInChI=1S/C21H21N3O2/c1-4-23-18-11-10-17(20-14(2)22-26-15(20)3)12-19(18)24(21(23)25)13-16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3
InChIKeyFRTXUQOSCVCPHK-UHFFFAOYSA-N
XLogP4.14
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one
CID 87057244
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 156790239
(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one
CID 122164734
4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375785
(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375783
1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
CID 90234436
4-(1-benzylpyrazolo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 121375892
9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide
CID 90375709
4-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-3,5-dimethyl-1,2-oxazole
CID 118121112
7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
CID 121375946
4-[1-benzyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375800

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one?
The IUPAC name of 3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one (CID 121375958) is 3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one.
What is the SMILES notation for 3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one?
The canonical SMILES for 3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one is CCn1c(=O)n(Cc2ccccc2)c2cc(-c3c(C)noc3C)ccc21.
What is the InChIKey of 3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one?
The InChIKey is FRTXUQOSCVCPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-4-23-18-11-10-17(20-14(2)22-26-15(20)3)12-19(18)24(21(23)25)13-16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3.
What are the key properties of 3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one?
3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one has a molecular weight of 347.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one is sourced from PubChem (CID 121375958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).