3a,4-dihydro-1H-benzimidazole

C7H8N2 — CID 18186079

IUPAC3a,4-dihydro-1H-benzimidazole
SMILESC1=CCC2N=CNC2=C1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)8-5-9-7/h1-3,5,7H,4H2,(H,8,9)
InChIKeySHWDOKOMIWEJNE-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.83
Rot. Bonds

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

3a,4-dihydro-1H-benzimidazole (PubChem CID 18186079) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3a,4-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name3a,4-dihydro-1H-benzimidazole
PubChem CID18186079
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3a,4-dihydro-1H-benzimidazole
SMILESC1=CCC2N=CNC2=C1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)8-5-9-7/h1-3,5,7H,4H2,(H,8,9)
InChIKeySHWDOKOMIWEJNE-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,4-dihydro-1H-benzimidazole?
The IUPAC name of 3a,4-dihydro-1H-benzimidazole (CID 18186079) is 3a,4-dihydro-1H-benzimidazole.
What is the SMILES notation for 3a,4-dihydro-1H-benzimidazole?
The canonical SMILES for 3a,4-dihydro-1H-benzimidazole is C1=CCC2N=CNC2=C1.
What is the InChIKey of 3a,4-dihydro-1H-benzimidazole?
The InChIKey is SHWDOKOMIWEJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-4-7-6(3-1)8-5-9-7/h1-3,5,7H,4H2,(H,8,9).
What are the key properties of 3a,4-dihydro-1H-benzimidazole?
3a,4-dihydro-1H-benzimidazole has a molecular weight of 120.15 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4-dihydro-1H-benzimidazole is sourced from PubChem (CID 18186079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).