5-methyl-3a,4-dihydro-1H-benzimidazole

C8H10N2 — CID 138535071

IUPAC5-methyl-3a,4-dihydro-1H-benzimidazole
SMILESCC1=CC=C2NC=NC2C1
InChIInChI=1S/C8H10N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-3,5,8H,4H2,1H3,(H,9,10)
InChIKeyPJZJXDLVXGHZEK-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.22
Rot. Bonds

About 5-methyl-3a,4-dihydro-1H-benzimidazole

5-methyl-3a,4-dihydro-1H-benzimidazole (PubChem CID 138535071) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-methyl-3a,4-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name5-methyl-3a,4-dihydro-1H-benzimidazole
PubChem CID138535071
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-methyl-3a,4-dihydro-1H-benzimidazole
SMILESCC1=CC=C2NC=NC2C1
InChIInChI=1S/C8H10N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-3,5,8H,4H2,1H3,(H,9,10)
InChIKeyPJZJXDLVXGHZEK-UHFFFAOYSA-N
XLogP1.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3a,4-dihydro-1H-benzimidazole?
The IUPAC name of 5-methyl-3a,4-dihydro-1H-benzimidazole (CID 138535071) is 5-methyl-3a,4-dihydro-1H-benzimidazole.
What is the SMILES notation for 5-methyl-3a,4-dihydro-1H-benzimidazole?
The canonical SMILES for 5-methyl-3a,4-dihydro-1H-benzimidazole is CC1=CC=C2NC=NC2C1.
What is the InChIKey of 5-methyl-3a,4-dihydro-1H-benzimidazole?
The InChIKey is PJZJXDLVXGHZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-3,5,8H,4H2,1H3,(H,9,10).
What are the key properties of 5-methyl-3a,4-dihydro-1H-benzimidazole?
5-methyl-3a,4-dihydro-1H-benzimidazole has a molecular weight of 134.18 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3a,4-dihydro-1H-benzimidazole is sourced from PubChem (CID 138535071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).