5,6-dihydro-1H-benzimidazole;ethane

C9H14N2 — CID 145267144

IUPAC5,6-dihydro-1H-benzimidazole;ethane
SMILESC1=c2nc[nH]c2=CCC1.CC
InChIInChI=1S/C7H8N2.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-2/h3-5H,1-2H2,(H,8,9);1-2H3
InChIKeyWBEGCNKKBODENU-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.79
Rot. Bonds

About 5,6-dihydro-1H-benzimidazole;ethane

5,6-dihydro-1H-benzimidazole;ethane (PubChem CID 145267144) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5,6-dihydro-1H-benzimidazole;ethane.

Molecular Properties

Compound Name5,6-dihydro-1H-benzimidazole;ethane
PubChem CID145267144
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5,6-dihydro-1H-benzimidazole;ethane
SMILESC1=c2nc[nH]c2=CCC1.CC
InChIInChI=1S/C7H8N2.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-2/h3-5H,1-2H2,(H,8,9);1-2H3
InChIKeyWBEGCNKKBODENU-UHFFFAOYSA-N
XLogP0.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4E,5E)-4-(2-fluoroethylidene)-5-(2-fluoropropylidene)-1H-imidazole
CID 144356998
(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1H-imidazole
CID 144415068
5,6-dihydro-3H-benzimidazol-5-amine
CID 67036041
5,6-dihydro-1H-benzimidazole
CID 68269788
6-methyl-5,6-dihydro-1H-benzimidazole
CID 68310961
6-ethyl-5,6-dihydro-1H-benzimidazole
CID 89554317
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
3,7-Dihydrocyclohepta[d]imidazole
CID 91179014
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole
CID 126757741
4-methyl-5,6-dihydro-1H-benzimidazole
CID 130254986
6-methyl-3a,4-dihydro-1H-benzimidazole
CID 134239539
(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole
CID 134444617

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1H-benzimidazole;ethane?
The IUPAC name of 5,6-dihydro-1H-benzimidazole;ethane (CID 145267144) is 5,6-dihydro-1H-benzimidazole;ethane.
What is the SMILES notation for 5,6-dihydro-1H-benzimidazole;ethane?
The canonical SMILES for 5,6-dihydro-1H-benzimidazole;ethane is C1=c2nc[nH]c2=CCC1.CC.
What is the InChIKey of 5,6-dihydro-1H-benzimidazole;ethane?
The InChIKey is WBEGCNKKBODENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.C2H6/c1-2-4-7-6(3-1)8-5-9-7;1-2/h3-5H,1-2H2,(H,8,9);1-2H3.
What are the key properties of 5,6-dihydro-1H-benzimidazole;ethane?
5,6-dihydro-1H-benzimidazole;ethane has a molecular weight of 150.22 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1H-benzimidazole;ethane is sourced from PubChem (CID 145267144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).