5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole

C10H10BrN3 — CID 19426022

IUPAC5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole
SMILESCN1Cc2c(Br)cc3c(c2C1)=NCN=3
InChIInChI=1S/C10H10BrN3/c1-14-3-6-7(4-14)10-9(2-8(6)11)12-5-13-10/h2H,3-5H2,1H3
InChIKeyVDMDIRCDVYSGNK-UHFFFAOYSA-N
MW252.11 g/mol
LogP0.60
Rot. Bonds

About 5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole

5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole (PubChem CID 19426022) has the molecular formula C10H10BrN3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole.

Molecular Properties

Compound Name5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole
PubChem CID19426022
Molecular FormulaC10H10BrN3
Molecular Weight252.11 g/mol
Exact Mass251.01
IUPAC Name5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole
SMILESCN1Cc2c(Br)cc3c(c2C1)=NCN=3
InChIInChI=1S/C10H10BrN3/c1-14-3-6-7(4-14)10-9(2-8(6)11)12-5-13-10/h2H,3-5H2,1H3
InChIKeyVDMDIRCDVYSGNK-UHFFFAOYSA-N
XLogP0.60
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole?
The IUPAC name of 5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole (CID 19426022) is 5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole.
What is the SMILES notation for 5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole?
The canonical SMILES for 5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole is CN1Cc2c(Br)cc3c(c2C1)=NCN=3.
What is the InChIKey of 5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole?
The InChIKey is VDMDIRCDVYSGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-14-3-6-7(4-14)10-9(2-8(6)11)12-5-13-10/h2H,3-5H2,1H3.
What are the key properties of 5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole?
5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole has a molecular weight of 252.11 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole is sourced from PubChem (CID 19426022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).