2,5-dimethyl-3a,4-dihydro-1H-benzimidazole

C9H12N2 — CID 137466863

IUPAC2,5-dimethyl-3a,4-dihydro-1H-benzimidazole
SMILESCC1=CC=C2NC(C)=NC2C1
InChIInChI=1S/C9H12N2/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-4,9H,5H2,1-2H3,(H,10,11)
InChIKeyPOLZMVANODVHLT-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.61
Rot. Bonds

About 2,5-dimethyl-3a,4-dihydro-1H-benzimidazole

2,5-dimethyl-3a,4-dihydro-1H-benzimidazole (PubChem CID 137466863) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,5-dimethyl-3a,4-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2,5-dimethyl-3a,4-dihydro-1H-benzimidazole
PubChem CID137466863
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,5-dimethyl-3a,4-dihydro-1H-benzimidazole
SMILESCC1=CC=C2NC(C)=NC2C1
InChIInChI=1S/C9H12N2/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-4,9H,5H2,1-2H3,(H,10,11)
InChIKeyPOLZMVANODVHLT-UHFFFAOYSA-N
XLogP1.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3a,4-dihydro-1H-benzimidazole?
The IUPAC name of 2,5-dimethyl-3a,4-dihydro-1H-benzimidazole (CID 137466863) is 2,5-dimethyl-3a,4-dihydro-1H-benzimidazole.
What is the SMILES notation for 2,5-dimethyl-3a,4-dihydro-1H-benzimidazole?
The canonical SMILES for 2,5-dimethyl-3a,4-dihydro-1H-benzimidazole is CC1=CC=C2NC(C)=NC2C1.
What is the InChIKey of 2,5-dimethyl-3a,4-dihydro-1H-benzimidazole?
The InChIKey is POLZMVANODVHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-4,9H,5H2,1-2H3,(H,10,11).
What are the key properties of 2,5-dimethyl-3a,4-dihydro-1H-benzimidazole?
2,5-dimethyl-3a,4-dihydro-1H-benzimidazole has a molecular weight of 148.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3a,4-dihydro-1H-benzimidazole is sourced from PubChem (CID 137466863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).