8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

C11H12N2 — CID 45077984

IUPAC8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCc1cccc2nc3n(c12)CCC3
InChIInChI=1S/C11H12N2/c1-8-4-2-5-9-11(8)13-7-3-6-10(13)12-9/h2,4-5H,3,6-7H2,1H3
InChIKeyCOSXRBNJOSAACZ-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.29
Rot. Bonds

About 8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (PubChem CID 45077984) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
PubChem CID45077984
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCc1cccc2nc3n(c12)CCC3
InChIInChI=1S/C11H12N2/c1-8-4-2-5-9-11(8)13-7-3-6-10(13)12-9/h2,4-5H,3,6-7H2,1H3
InChIKeyCOSXRBNJOSAACZ-UHFFFAOYSA-N
XLogP2.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of 8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (CID 45077984) is 8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for 8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for 8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is Cc1cccc2nc3n(c12)CCC3.
What is the InChIKey of 8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is COSXRBNJOSAACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-4-2-5-9-11(8)13-7-3-6-10(13)12-9/h2,4-5H,3,6-7H2,1H3.
What are the key properties of 8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 172.23 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 45077984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).