4,7-diethyl-2H-benzimidazole

C11H14N2 — CID 58776602

IUPAC4,7-diethyl-2H-benzimidazole
SMILESCCc1ccc(CC)c2c1=NCN=2
InChIInChI=1S/C11H14N2/c1-3-8-5-6-9(4-2)11-10(8)12-7-13-11/h5-6H,3-4,7H2,1-2H3
InChIKeyFTCLUGSFHTVHOJ-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.02
Rot. Bonds2

About 4,7-diethyl-2H-benzimidazole

4,7-diethyl-2H-benzimidazole (PubChem CID 58776602) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4,7-diethyl-2H-benzimidazole.

Molecular Properties

Compound Name4,7-diethyl-2H-benzimidazole
PubChem CID58776602
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4,7-diethyl-2H-benzimidazole
SMILESCCc1ccc(CC)c2c1=NCN=2
InChIInChI=1S/C11H14N2/c1-3-8-5-6-9(4-2)11-10(8)12-7-13-11/h5-6H,3-4,7H2,1-2H3
InChIKeyFTCLUGSFHTVHOJ-UHFFFAOYSA-N
XLogP1.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-diethyl-2H-benzimidazole?
The IUPAC name of 4,7-diethyl-2H-benzimidazole (CID 58776602) is 4,7-diethyl-2H-benzimidazole.
What is the SMILES notation for 4,7-diethyl-2H-benzimidazole?
The canonical SMILES for 4,7-diethyl-2H-benzimidazole is CCc1ccc(CC)c2c1=NCN=2.
What is the InChIKey of 4,7-diethyl-2H-benzimidazole?
The InChIKey is FTCLUGSFHTVHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-8-5-6-9(4-2)11-10(8)12-7-13-11/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 4,7-diethyl-2H-benzimidazole?
4,7-diethyl-2H-benzimidazole has a molecular weight of 174.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethyl-2H-benzimidazole is sourced from PubChem (CID 58776602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).