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

C12H14N4O2 — CID 67937734

IUPACN-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide
SMILESCC(=O)NC1Nc2cc3c(cc2N1)C(C)C(=O)N3
InChIInChI=1S/C12H14N4O2/c1-5-7-3-9-10(4-8(7)14-11(5)18)16-12(15-9)13-6(2)17/h3-5,12,15-16H,1-2H3,(H,13,17)(H,14,18)
InChIKeyBQTGOGADTZUVGB-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.00
Rot. Bonds1

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

N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide (PubChem CID 67937734) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide
PubChem CID67937734
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide
SMILESCC(=O)NC1Nc2cc3c(cc2N1)C(C)C(=O)N3
InChIInChI=1S/C12H14N4O2/c1-5-7-3-9-10(4-8(7)14-11(5)18)16-12(15-9)13-6(2)17/h3-5,12,15-16H,1-2H3,(H,13,17)(H,14,18)
InChIKeyBQTGOGADTZUVGB-UHFFFAOYSA-N
XLogP1.00
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide?
The IUPAC name of N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide (CID 67937734) is N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide.
What is the SMILES notation for N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide?
The canonical SMILES for N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide is CC(=O)NC1Nc2cc3c(cc2N1)C(C)C(=O)N3.
What is the InChIKey of N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide?
The InChIKey is BQTGOGADTZUVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-5-7-3-9-10(4-8(7)14-11(5)18)16-12(15-9)13-6(2)17/h3-5,12,15-16H,1-2H3,(H,13,17)(H,14,18).
What are the key properties of N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide?
N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-6-oxo-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-2-yl)acetamide is sourced from PubChem (CID 67937734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).