4,7-diethyl-2H-benzimidazole;ethane

C13H20N2 — CID 91265314

IUPAC4,7-diethyl-2H-benzimidazole;ethane
SMILESCC.CCc1ccc(CC)c2c1=NCN=2
InChIInChI=1S/C11H14N2.C2H6/c1-3-8-5-6-9(4-2)11-10(8)12-7-13-11;1-2/h5-6H,3-4,7H2,1-2H3;1-2H3
InChIKeyIPRBXUOOXSDKCZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.05
Rot. Bonds2

About 4,7-diethyl-2H-benzimidazole;ethane

4,7-diethyl-2H-benzimidazole;ethane (PubChem CID 91265314) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4,7-diethyl-2H-benzimidazole;ethane.

Molecular Properties

Compound Name4,7-diethyl-2H-benzimidazole;ethane
PubChem CID91265314
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4,7-diethyl-2H-benzimidazole;ethane
SMILESCC.CCc1ccc(CC)c2c1=NCN=2
InChIInChI=1S/C11H14N2.C2H6/c1-3-8-5-6-9(4-2)11-10(8)12-7-13-11;1-2/h5-6H,3-4,7H2,1-2H3;1-2H3
InChIKeyIPRBXUOOXSDKCZ-UHFFFAOYSA-N
XLogP2.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-4,7-dimethyl-2H-benzimidazole
CID 130209575
4-Butyl-2,2-dimethylbenzimidazole
CID 20537660
4-Ethenyl-2,2-dimethylbenzimidazole
CID 20537676
1-N,2-N,4,5-tetramethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762103
1-N,2-N,4-trimethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762104
1-N,2-N-dimethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762105
1-N,2-N-dimethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762106
1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 20762110
4,7-dimethyl-2H-benzimidazole
CID 20812386
4,5,6,7-tetramethyl-2H-benzimidazole
CID 21034549
4-Hexylbenzimidazol-2-one
CID 21657233
5-methyl-2H-benzimidazole
CID 22891152

Frequently Asked Questions

What is the IUPAC name of 4,7-diethyl-2H-benzimidazole;ethane?
The IUPAC name of 4,7-diethyl-2H-benzimidazole;ethane (CID 91265314) is 4,7-diethyl-2H-benzimidazole;ethane.
What is the SMILES notation for 4,7-diethyl-2H-benzimidazole;ethane?
The canonical SMILES for 4,7-diethyl-2H-benzimidazole;ethane is CC.CCc1ccc(CC)c2c1=NCN=2.
What is the InChIKey of 4,7-diethyl-2H-benzimidazole;ethane?
The InChIKey is IPRBXUOOXSDKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-3-8-5-6-9(4-2)11-10(8)12-7-13-11;1-2/h5-6H,3-4,7H2,1-2H3;1-2H3.
What are the key properties of 4,7-diethyl-2H-benzimidazole;ethane?
4,7-diethyl-2H-benzimidazole;ethane has a molecular weight of 204.32 g/mol, XLogP of 2.05, 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;ethane is sourced from PubChem (CID 91265314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).