6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

C12H14N2 — CID 695586

IUPAC6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCc1cc2nc3n(c2cc1C)CCC3
InChIInChI=1S/C12H14N2/c1-8-6-10-11(7-9(8)2)14-5-3-4-12(14)13-10/h6-7H,3-5H2,1-2H3
InChIKeyOEQHHLTWJGGPFT-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.60
Rot. Bonds

About 6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (PubChem CID 695586) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
PubChem CID695586
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCc1cc2nc3n(c2cc1C)CCC3
InChIInChI=1S/C12H14N2/c1-8-6-10-11(7-9(8)2)14-5-3-4-12(14)13-10/h6-7H,3-5H2,1-2H3
InChIKeyOEQHHLTWJGGPFT-UHFFFAOYSA-N
XLogP2.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of 6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (CID 695586) is 6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for 6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for 6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is Cc1cc2nc3n(c2cc1C)CCC3.
What is the InChIKey of 6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is OEQHHLTWJGGPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-6-10-11(7-9(8)2)14-5-3-4-12(14)13-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 186.26 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 695586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).