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

C10H11N3 — CID 19425983

IUPAC7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole
SMILESCN1Cc2ccc3c(c2C1)=NCN=3
InChIInChI=1S/C10H11N3/c1-13-4-7-2-3-9-10(8(7)5-13)12-6-11-9/h2-3H,4-6H2,1H3
InChIKeyVVFCTHLDBHDHMH-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.16
Rot. Bonds

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

7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole (PubChem CID 19425983) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole.

Molecular Properties

Compound Name7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole
PubChem CID19425983
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole
SMILESCN1Cc2ccc3c(c2C1)=NCN=3
InChIInChI=1S/C10H11N3/c1-13-4-7-2-3-9-10(8(7)5-13)12-6-11-9/h2-3H,4-6H2,1H3
InChIKeyVVFCTHLDBHDHMH-UHFFFAOYSA-N
XLogP-0.16
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

n-Methylharman
CID 23113700
5-bromo-6,8-dihydro-7-methyl-2H-pyrrolo[3,4-e]benzimidazole
CID 19426022
2-Methyl-2-piperidin-1-ylindole
CID 54111611
2-Methyl-2-pyrrolidin-1-ylindole
CID 54441439
1,4-dimethyl-2H-indol-1-ium
CID 60119061
2,8-Dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 67309399
2-Methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 68924582
2-Ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 69207768
5-Methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 90326755
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
5-(5-ethenyl-2-methylbenzene-4-id-1-yl)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium;undecakis(yttrium)
CID 157600322
5-(4-ethenyl-2-methylbenzene-5-id-1-yl)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium;henicosakis(yttrium)
CID 158525456

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole?
The IUPAC name of 7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole (CID 19425983) is 7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole.
What is the SMILES notation for 7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole?
The canonical SMILES for 7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole is CN1Cc2ccc3c(c2C1)=NCN=3.
What is the InChIKey of 7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole?
The InChIKey is VVFCTHLDBHDHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-13-4-7-2-3-9-10(8(7)5-13)12-6-11-9/h2-3H,4-6H2,1H3.
What are the key properties of 7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole?
7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole has a molecular weight of 173.22 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,8-dihydro-2H-pyrrolo[3,4-e]benzimidazole is sourced from PubChem (CID 19425983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).