methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate

C14H16N4O3 — CID 59300986

IUPACmethyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2cc3c(cc2[nH]1)C(C)(C)C(=O)N3C
InChIInChI=1S/C14H16N4O3/c1-14(2)7-5-8-9(6-10(7)18(3)11(14)19)16-12(15-8)17-13(20)21-4/h5-6H,1-4H3,(H2,15,16,17,20)
InChIKeyVSCZUYGTDOBQMK-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.00
Rot. Bonds1

About methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate

methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate (PubChem CID 59300986) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate
PubChem CID59300986
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namemethyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2cc3c(cc2[nH]1)C(C)(C)C(=O)N3C
InChIInChI=1S/C14H16N4O3/c1-14(2)7-5-8-9(6-10(7)18(3)11(14)19)16-12(15-8)17-13(20)21-4/h5-6H,1-4H3,(H2,15,16,17,20)
InChIKeyVSCZUYGTDOBQMK-UHFFFAOYSA-N
XLogP2.00
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate (CID 59300986) is methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate is COC(=O)Nc1nc2cc3c(cc2[nH]1)C(C)(C)C(=O)N3C.
What is the InChIKey of methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate?
The InChIKey is VSCZUYGTDOBQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-14(2)7-5-8-9(6-10(7)18(3)11(14)19)16-12(15-8)17-13(20)21-4/h5-6H,1-4H3,(H2,15,16,17,20).
What are the key properties of methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate?
methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate has a molecular weight of 288.31 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5,7,7-trimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)carbamate is sourced from PubChem (CID 59300986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).