3-methyl-1,2,3a,7a-tetrahydrobenzimidazole

C8H12N2 — CID 21479327

IUPAC3-methyl-1,2,3a,7a-tetrahydrobenzimidazole
SMILESCN1CNC2C=CC=CC21
InChIInChI=1S/C8H12N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-5,7-9H,6H2,1H3
InChIKeySKNBLWICYXAJHH-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.34
Rot. Bonds

About 3-methyl-1,2,3a,7a-tetrahydrobenzimidazole

3-methyl-1,2,3a,7a-tetrahydrobenzimidazole (PubChem CID 21479327) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-methyl-1,2,3a,7a-tetrahydrobenzimidazole.

Molecular Properties

Compound Name3-methyl-1,2,3a,7a-tetrahydrobenzimidazole
PubChem CID21479327
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-methyl-1,2,3a,7a-tetrahydrobenzimidazole
SMILESCN1CNC2C=CC=CC21
InChIInChI=1S/C8H12N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-5,7-9H,6H2,1H3
InChIKeySKNBLWICYXAJHH-UHFFFAOYSA-N
XLogP0.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,3a,7a-tetrahydrobenzimidazole?
The IUPAC name of 3-methyl-1,2,3a,7a-tetrahydrobenzimidazole (CID 21479327) is 3-methyl-1,2,3a,7a-tetrahydrobenzimidazole.
What is the SMILES notation for 3-methyl-1,2,3a,7a-tetrahydrobenzimidazole?
The canonical SMILES for 3-methyl-1,2,3a,7a-tetrahydrobenzimidazole is CN1CNC2C=CC=CC21.
What is the InChIKey of 3-methyl-1,2,3a,7a-tetrahydrobenzimidazole?
The InChIKey is SKNBLWICYXAJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-5,7-9H,6H2,1H3.
What are the key properties of 3-methyl-1,2,3a,7a-tetrahydrobenzimidazole?
3-methyl-1,2,3a,7a-tetrahydrobenzimidazole has a molecular weight of 136.20 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,3a,7a-tetrahydrobenzimidazole is sourced from PubChem (CID 21479327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).