(2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate

C24H19N3O4 — CID 46786678

IUPAC(2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)OCC(=O)NC(=O)c3ccccc3)ccc2n1-c1ccccc1
InChIInChI=1S/C24H19N3O4/c1-16-25-20-14-18(12-13-21(20)27(16)19-10-6-3-7-11-19)24(30)31-15-22(28)26-23(29)17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,26,28,29)
InChIKeyWONVLPUZQYBYFU-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.45
Rot. Bonds5

About (2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate

(2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate (PubChem CID 46786678) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate
PubChem CID46786678
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name(2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)OCC(=O)NC(=O)c3ccccc3)ccc2n1-c1ccccc1
InChIInChI=1S/C24H19N3O4/c1-16-25-20-14-18(12-13-21(20)27(16)19-10-6-3-7-11-19)24(30)31-15-22(28)26-23(29)17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,26,28,29)
InChIKeyWONVLPUZQYBYFU-UHFFFAOYSA-N
XLogP3.45
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043609
[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-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043534
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4022244
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 8002313
[2-oxo-2-(2-phenylanilino)ethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4001709
[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043244
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171281
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 3952613
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4834729
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043262

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate (CID 46786678) is (2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate is Cc1nc2cc(C(=O)OCC(=O)NC(=O)c3ccccc3)ccc2n1-c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The InChIKey is WONVLPUZQYBYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-16-25-20-14-18(12-13-21(20)27(16)19-10-6-3-7-11-19)24(30)31-15-22(28)26-23(29)17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,26,28,29).
What are the key properties of (2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate?
(2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate has a molecular weight of 413.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 46786678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).