3aH-benzimidazole;ethane

C9H12N2 — CID 91257109

IUPAC3aH-benzimidazole;ethane
SMILESC1=CC2=NC=NC2C=C1.CC
InChIInChI=1S/C7H6N2.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-2/h1-6H;1-2H3
InChIKeyBBIRIDRJTDRGNI-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.99
Rot. Bonds

About 3aH-benzimidazole;ethane

3aH-benzimidazole;ethane (PubChem CID 91257109) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3aH-benzimidazole;ethane.

Molecular Properties

Compound Name3aH-benzimidazole;ethane
PubChem CID91257109
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3aH-benzimidazole;ethane
SMILESC1=CC2=NC=NC2C=C1.CC
InChIInChI=1S/C7H6N2.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-2/h1-6H;1-2H3
InChIKeyBBIRIDRJTDRGNI-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3aH-benzimidazole;ethane?
The IUPAC name of 3aH-benzimidazole;ethane (CID 91257109) is 3aH-benzimidazole;ethane.
What is the SMILES notation for 3aH-benzimidazole;ethane?
The canonical SMILES for 3aH-benzimidazole;ethane is C1=CC2=NC=NC2C=C1.CC.
What is the InChIKey of 3aH-benzimidazole;ethane?
The InChIKey is BBIRIDRJTDRGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-2/h1-6H;1-2H3.
What are the key properties of 3aH-benzimidazole;ethane?
3aH-benzimidazole;ethane has a molecular weight of 148.21 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3aH-benzimidazole;ethane is sourced from PubChem (CID 91257109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).