3a,7a-dihydro-1H-benzimidazole

C7H8N2 — CID 15762978

IUPAC3a,7a-dihydro-1H-benzimidazole
SMILESC1=CC2N=CNC2C=C1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)8-5-9-7/h1-7H,(H,8,9)
InChIKeyVSMCUHSEQULSMP-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.48
Rot. Bonds

About 3a,7a-dihydro-1H-benzimidazole

3a,7a-dihydro-1H-benzimidazole (PubChem CID 15762978) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name3a,7a-dihydro-1H-benzimidazole
PubChem CID15762978
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3a,7a-dihydro-1H-benzimidazole
SMILESC1=CC2N=CNC2C=C1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)8-5-9-7/h1-7H,(H,8,9)
InChIKeyVSMCUHSEQULSMP-UHFFFAOYSA-N
XLogP0.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of 3a,7a-dihydro-1H-benzimidazole (CID 15762978) is 3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for 3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for 3a,7a-dihydro-1H-benzimidazole is C1=CC2N=CNC2C=C1.
What is the InChIKey of 3a,7a-dihydro-1H-benzimidazole?
The InChIKey is VSMCUHSEQULSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-4-7-6(3-1)8-5-9-7/h1-7H,(H,8,9).
What are the key properties of 3a,7a-dihydro-1H-benzimidazole?
3a,7a-dihydro-1H-benzimidazole has a molecular weight of 120.15 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 15762978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).