4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole

C8H12N2 — CID 163426329

IUPAC4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole
SMILESCC1CC=CC2=C1NCN2
InChIInChI=1S/C8H12N2/c1-6-3-2-4-7-8(6)10-5-9-7/h2,4,6,9-10H,3,5H2,1H3
InChIKeyAMVLFEFALTVNRI-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.94
Rot. Bonds

About 4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole

4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole (PubChem CID 163426329) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole
PubChem CID163426329
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole
SMILESCC1CC=CC2=C1NCN2
InChIInChI=1S/C8H12N2/c1-6-3-2-4-7-8(6)10-5-9-7/h2,4,6,9-10H,3,5H2,1H3
InChIKeyAMVLFEFALTVNRI-UHFFFAOYSA-N
XLogP0.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole?
The IUPAC name of 4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole (CID 163426329) is 4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole?
The canonical SMILES for 4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole is CC1CC=CC2=C1NCN2.
What is the InChIKey of 4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole?
The InChIKey is AMVLFEFALTVNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-3-2-4-7-8(6)10-5-9-7/h2,4,6,9-10H,3,5H2,1H3.
What are the key properties of 4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole?
4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole has a molecular weight of 136.20 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,4,5-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 163426329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).