methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate

C18H22N4O4 — CID 169489660

IUPACmethyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)NC1CCC2NC(=O)NC2C1
InChIInChI=1S/C18H22N4O4/c1-26-16(23)11-2-5-15-10(8-11)6-7-22(15)18(25)19-12-3-4-13-14(9-12)21-17(24)20-13/h2,5,8,12-14H,3-4,6-7,9H2,1H3,(H,19,25)(H2,20,21,24)
InChIKeyDNHGIUDDVFIVNO-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.15
Rot. Bonds2

About methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 169489660) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate
PubChem CID169489660
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Namemethyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)NC1CCC2NC(=O)NC2C1
InChIInChI=1S/C18H22N4O4/c1-26-16(23)11-2-5-15-10(8-11)6-7-22(15)18(25)19-12-3-4-13-14(9-12)21-17(24)20-13/h2,5,8,12-14H,3-4,6-7,9H2,1H3,(H,19,25)(H2,20,21,24)
InChIKeyDNHGIUDDVFIVNO-UHFFFAOYSA-N
XLogP1.15
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate (CID 169489660) is methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)NC1CCC2NC(=O)NC2C1.
What is the InChIKey of methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is DNHGIUDDVFIVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-26-16(23)11-2-5-15-10(8-11)6-7-22(15)18(25)19-12-3-4-13-14(9-12)21-17(24)20-13/h2,5,8,12-14H,3-4,6-7,9H2,1H3,(H,19,25)(H2,20,21,24).
What are the key properties of methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 169489660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).