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

C11H10N2 — CID 45078447

IUPAC1-methyl-3H-pyrrolo[1,2-a]benzimidazole
SMILESCC1=CCc2nc3ccccc3n21
InChIInChI=1S/C11H10N2/c1-8-6-7-11-12-9-4-2-3-5-10(9)13(8)11/h2-6H,7H2,1H3
InChIKeyVZQPJXPFXDTICD-UHFFFAOYSA-N
MW170.22 g/mol
LogP2.45
Rot. Bonds

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

1-methyl-3H-pyrrolo[1,2-a]benzimidazole (PubChem CID 45078447) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-methyl-3H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name1-methyl-3H-pyrrolo[1,2-a]benzimidazole
PubChem CID45078447
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name1-methyl-3H-pyrrolo[1,2-a]benzimidazole
SMILESCC1=CCc2nc3ccccc3n21
InChIInChI=1S/C11H10N2/c1-8-6-7-11-12-9-4-2-3-5-10(9)13(8)11/h2-6H,7H2,1H3
InChIKeyVZQPJXPFXDTICD-UHFFFAOYSA-N
XLogP2.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole
CID 122548276
ethane;11H-indolo[1,2-a]benzimidazole
CID 160799829
3,4-dihydro-2H-pyrido[1,2-a]benzimidazol-1-one
CID 14171670
(2R)-2-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 93477443
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
(1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 97302978
1-(2-bromophenyl)-2-methylbenzimidazole
CID 168938830
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
(7S)-7-methyl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
CID 92978156
3-methyl-4-(2-methylbenzimidazol-1-yl)aniline
CID 82513326
1-(3,5-difluorophenyl)-2-ethylbenzimidazole
CID 155179234
1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
CID 43823548

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of 1-methyl-3H-pyrrolo[1,2-a]benzimidazole (CID 45078447) is 1-methyl-3H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for 1-methyl-3H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for 1-methyl-3H-pyrrolo[1,2-a]benzimidazole is CC1=CCc2nc3ccccc3n21.
What is the InChIKey of 1-methyl-3H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is VZQPJXPFXDTICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-8-6-7-11-12-9-4-2-3-5-10(9)13(8)11/h2-6H,7H2,1H3.
What are the key properties of 1-methyl-3H-pyrrolo[1,2-a]benzimidazole?
1-methyl-3H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 170.22 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 45078447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).