5-methyl-3aH-benzimidazole

C8H8N2 — CID 53402968

IUPAC5-methyl-3aH-benzimidazole
SMILESCC1=CC2N=CN=C2C=C1
InChIInChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5,8H,1H3
InChIKeyAQDUFZTYTXYREV-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.35
Rot. Bonds

About 5-methyl-3aH-benzimidazole

5-methyl-3aH-benzimidazole (PubChem CID 53402968) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 5-methyl-3aH-benzimidazole.

Molecular Properties

Compound Name5-methyl-3aH-benzimidazole
PubChem CID53402968
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name5-methyl-3aH-benzimidazole
SMILESCC1=CC2N=CN=C2C=C1
InChIInChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5,8H,1H3
InChIKeyAQDUFZTYTXYREV-UHFFFAOYSA-N
XLogP1.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3aH-benzimidazole?
The IUPAC name of 5-methyl-3aH-benzimidazole (CID 53402968) is 5-methyl-3aH-benzimidazole.
What is the SMILES notation for 5-methyl-3aH-benzimidazole?
The canonical SMILES for 5-methyl-3aH-benzimidazole is CC1=CC2N=CN=C2C=C1.
What is the InChIKey of 5-methyl-3aH-benzimidazole?
The InChIKey is AQDUFZTYTXYREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5,8H,1H3.
What are the key properties of 5-methyl-3aH-benzimidazole?
5-methyl-3aH-benzimidazole has a molecular weight of 132.17 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3aH-benzimidazole is sourced from PubChem (CID 53402968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).