(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate

C20H18N4O3 — CID 55540146

IUPAC(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCCc1noc(COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)n1
InChIInChI=1S/C20H18N4O3/c1-3-18-22-19(27-23-18)12-26-20(25)14-9-10-17-16(11-14)21-13(2)24(17)15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3
InChIKeyFBZIGCZQSUZHNF-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.64
Rot. Bonds5

About (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate

(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate (PubChem CID 55540146) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
PubChem CID55540146
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCCc1noc(COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)n1
InChIInChI=1S/C20H18N4O3/c1-3-18-22-19(27-23-18)12-26-20(25)14-9-10-17-16(11-14)21-13(2)24(17)15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3
InChIKeyFBZIGCZQSUZHNF-UHFFFAOYSA-N
XLogP3.64
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043244
phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043609
imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171273
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 55404417
cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171317
(2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 46786678
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4800585
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 40672722
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043262
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043247

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate (CID 55540146) is (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate is CCc1noc(COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)n1.
What is the InChIKey of (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The InChIKey is FBZIGCZQSUZHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-3-18-22-19(27-23-18)12-26-20(25)14-9-10-17-16(11-14)21-13(2)24(17)15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3.
What are the key properties of (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 55540146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).