10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole

C15H18N2 — CID 122594955

IUPAC10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole
SMILESCN1C2=C(C=CCC2)N2C3=CCCC=C3CC12
InChIInChI=1S/C15H18N2/c1-16-13-8-4-5-9-14(13)17-12-7-3-2-6-11(12)10-15(16)17/h5-7,9,15H,2-4,8,10H2,1H3
InChIKeyWFUQBTSSAKZCCA-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.13
Rot. Bonds

About 10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole

10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole (PubChem CID 122594955) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole
PubChem CID122594955
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole
SMILESCN1C2=C(C=CCC2)N2C3=CCCC=C3CC12
InChIInChI=1S/C15H18N2/c1-16-13-8-4-5-9-14(13)17-12-7-3-2-6-11(12)10-15(16)17/h5-7,9,15H,2-4,8,10H2,1H3
InChIKeyWFUQBTSSAKZCCA-UHFFFAOYSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole?
The IUPAC name of 10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole (CID 122594955) is 10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole.
What is the SMILES notation for 10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole?
The canonical SMILES for 10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole is CN1C2=C(C=CCC2)N2C3=CCCC=C3CC12.
What is the InChIKey of 10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole?
The InChIKey is WFUQBTSSAKZCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-16-13-8-4-5-9-14(13)17-12-7-3-2-6-11(12)10-15(16)17/h5-7,9,15H,2-4,8,10H2,1H3.
What are the key properties of 10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole?
10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole has a molecular weight of 226.32 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2,3,8,9,10a,11-hexahydroindolo[1,2-a]benzimidazole is sourced from PubChem (CID 122594955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).