[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate

C15H14N4O4 — CID 2557216

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14N4O4/c1-19-6-2-3-12(19)14(21)23-8-13(20)16-9-4-5-10-11(7-9)18-15(22)17-10/h2-7H,8H2,1H3,(H,16,20)(H2,17,18,22)
InChIKeyQAHVTJBRULDPRC-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.99
Rot. Bonds4

About [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 2557216) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate
PubChem CID2557216
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14N4O4/c1-19-6-2-3-12(19)14(21)23-8-13(20)16-9-4-5-10-11(7-9)18-15(22)17-10/h2-7H,8H2,1H3,(H,16,20)(H2,17,18,22)
InChIKeyQAHVTJBRULDPRC-UHFFFAOYSA-N
XLogP0.99
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate with MolForge

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Related Compounds

[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-methylpyrrole-2-carboxylate
CID 2411157
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2394739
[2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2118393
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2475956
Methyl 1-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrrole-2-carboxylate
CID 102575756
1H-Pyrrole-2-carboxylic acid,4'-(carbonyldiimino)bis[1-methyl-, bis methyl ester
CID 45028388
Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoylamino]-1-methylpyrrole-2-carboxylate
CID 75436799
methyl 5-(7-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate
CID 146173079
methyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate
CID 150095976
Methyl 1-[4-[bis(2-methylpropyl)amino]-3-[(2,4-difluorophenyl)carbamoylamino]phenyl]pyrrole-2-carboxylate
CID 150478922
Methyl 1-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(2,4-difluorophenyl)carbamoylamino]phenyl]pyrrole-2-carboxylate
CID 150576113
Methyl 1-[4-[bis(2-methylpropyl)amino]-3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrrole-2-carboxylate
CID 151065591

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate (CID 2557216) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is QAHVTJBRULDPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-19-6-2-3-12(19)14(21)23-8-13(20)16-9-4-5-10-11(7-9)18-15(22)17-10/h2-7H,8H2,1H3,(H,16,20)(H2,17,18,22).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 314.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 2557216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).