7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole

C11H11N3 — CID 12549746

IUPAC7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole
SMILESCc1[nH]c2ccc3[nH]cnc3c2c1C
InChIInChI=1S/C11H11N3/c1-6-7(2)14-8-3-4-9-11(10(6)8)13-5-12-9/h3-5,14H,1-2H3,(H,12,13)
InChIKeyQEHQGNQKILWWTA-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.66
Rot. Bonds

About 7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole

7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole (PubChem CID 12549746) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole.

Molecular Properties

Compound Name7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole
PubChem CID12549746
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole
SMILESCc1[nH]c2ccc3[nH]cnc3c2c1C
InChIInChI=1S/C11H11N3/c1-6-7(2)14-8-3-4-9-11(10(6)8)13-5-12-9/h3-5,14H,1-2H3,(H,12,13)
InChIKeyQEHQGNQKILWWTA-UHFFFAOYSA-N
XLogP2.66
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5,6,15,16-tetramethyl-2,7,12,17-tetrazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),2,4(8),5,9,11,14(18),15,19-nonaene
CID 154715961
ethane;4-methyl-1H-benzimidazol-5-ol
CID 178031880
4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine
CID 929264
methane;2,3,4,5-tetramethyl-1H-indole
CID 174502737
benzene;2,3,4,5-tetramethyl-1H-indole
CID 174464516
4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine
CID 71412051
4-methoxy-5-methyl-1H-benzimidazole
CID 91306611
4-ethyl-5-methyl-1H-benzimidazole
CID 130065712
4-methyl-1H-imidazo[4,5-c]pyridine;molecular hydrogen
CID 176999050
2,3,4,5-tetramethyl-1H-pyrrolo[2,3-b]pyridine
CID 167207621
7-methyl-3,9-dihydroimidazo[4,5-f]quinolin-8-one
CID 121484646
4-fluoro-5-methylsulfanyl-1H-benzimidazole
CID 131073113

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole?
The IUPAC name of 7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole (CID 12549746) is 7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole.
What is the SMILES notation for 7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole?
The canonical SMILES for 7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole is Cc1[nH]c2ccc3[nH]cnc3c2c1C.
What is the InChIKey of 7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole?
The InChIKey is QEHQGNQKILWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-6-7(2)14-8-3-4-9-11(10(6)8)13-5-12-9/h3-5,14H,1-2H3,(H,12,13).
What are the key properties of 7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole?
7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole has a molecular weight of 185.23 g/mol, XLogP of 2.66, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3,6-dihydropyrrolo[3,2-e]benzimidazole is sourced from PubChem (CID 12549746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).