2H-benzimidazole;ethane

C9H12N2 — CID 54297744

IUPAC2H-benzimidazole;ethane
SMILESCC.c1ccc2c(c1)=NCN=2
InChIInChI=1S/C7H6N2.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-2/h1-4H,5H2;1-2H3
InChIKeySBYYRTSJVGHYQO-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.92
Rot. Bonds

About 2H-benzimidazole;ethane

2H-benzimidazole;ethane (PubChem CID 54297744) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2H-benzimidazole;ethane.

Molecular Properties

Compound Name2H-benzimidazole;ethane
PubChem CID54297744
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2H-benzimidazole;ethane
SMILESCC.c1ccc2c(c1)=NCN=2
InChIInChI=1S/C7H6N2.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-2/h1-4H,5H2;1-2H3
InChIKeySBYYRTSJVGHYQO-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-Benzimidazol-2-amine
CID 4469371
2-(2H-Benzimidazol-2-ylidene)-2H-benzimidazole
CID 3339960
2H-benzimidazole
CID 9548684
2,2-Dimethyl-2H-benzimidazole
CID 11435022
5,6-Difluoro-2,2-dimethyl-2h-benzo[d]imidazole
CID 129851573
Difluoro-dimethyl-2h-benzoimidazole
CID 129851574
2h-Benzimidazole 1-oxide
CID 17769767
Benzimidazole-2-selenone
CID 19602233
2-Methylenebenzimidazole
CID 22181905
2-Methylindol-2-ylium
CID 57054412
2-methyl-2H-indole
CID 58371059
5-Methyl-2H-benzimidazole-2-thione
CID 89573955

Frequently Asked Questions

What is the IUPAC name of 2H-benzimidazole;ethane?
The IUPAC name of 2H-benzimidazole;ethane (CID 54297744) is 2H-benzimidazole;ethane.
What is the SMILES notation for 2H-benzimidazole;ethane?
The canonical SMILES for 2H-benzimidazole;ethane is CC.c1ccc2c(c1)=NCN=2.
What is the InChIKey of 2H-benzimidazole;ethane?
The InChIKey is SBYYRTSJVGHYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-2/h1-4H,5H2;1-2H3.
What are the key properties of 2H-benzimidazole;ethane?
2H-benzimidazole;ethane has a molecular weight of 148.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzimidazole;ethane is sourced from PubChem (CID 54297744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).