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

C11H12N2 — CID 19834491

IUPAC5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCc1cccc2c1nc1n2CCC1
InChIInChI=1S/C11H12N2/c1-8-4-2-5-9-11(8)12-10-6-3-7-13(9)10/h2,4-5H,3,6-7H2,1H3
InChIKeyQUWSSTDACGRZNK-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.29
Rot. Bonds

About 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (PubChem CID 19834491) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
PubChem CID19834491
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESCc1cccc2c1nc1n2CCC1
InChIInChI=1S/C11H12N2/c1-8-4-2-5-9-11(8)12-10-6-3-7-13(9)10/h2,4-5H,3,6-7H2,1H3
InChIKeyQUWSSTDACGRZNK-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 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (CID 19834491) is 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is Cc1cccc2c1nc1n2CCC1.
What is the InChIKey of 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is QUWSSTDACGRZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-4-2-5-9-11(8)12-10-6-3-7-13(9)10/h2,4-5H,3,6-7H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
5-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 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 19834491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).