[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate

C21H23N3O3 — CID 7043244

IUPAC[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-4-23(5-2)20(25)14-27-21(26)16-11-12-19-18(13-16)22-15(3)24(19)17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3
InChIKeyCRJZFSBWBJDVOR-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.36
Rot. Bonds6

About [2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate

[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate (PubChem CID 7043244) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
PubChem CID7043244
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1
InChIInChI=1S/C21H23N3O3/c1-4-23(5-2)20(25)14-27-21(26)16-11-12-19-18(13-16)22-15(3)24(19)17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3
InChIKeyCRJZFSBWBJDVOR-UHFFFAOYSA-N
XLogP3.36
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043609
(2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 46786678
[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
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 55540146
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 8002313
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043262
[2-oxo-2-(2-phenylanilino)ethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4001709
cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171317
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171273
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043534

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate (CID 7043244) is [2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate is CCN(CC)C(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The InChIKey is CRJZFSBWBJDVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-23(5-2)20(25)14-27-21(26)16-11-12-19-18(13-16)22-15(3)24(19)17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 7043244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).