1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium

C13H24N2V — CID 158623767

IUPAC1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium
SMILESCC.CC.CC1=NC2C=CC=CC2N1C.[V]
InChIInChI=1S/C9H12N2.2C2H6.V/c1-7-10-8-5-3-4-6-9(8)11(7)2;2*1-2;/h3-6,8-9H,1-2H3;2*1-2H3;
InChIKeyHYIDWSLBXTWUBV-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.26
Rot. Bonds

About 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium

1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium (PubChem CID 158623767) has the molecular formula C13H24N2V and a molecular weight of 259.29 g/mol. Its IUPAC name is 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium.

Molecular Properties

Compound Name1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium
PubChem CID158623767
Molecular FormulaC13H24N2V
Molecular Weight259.29 g/mol
Exact Mass259.14
IUPAC Name1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium
SMILESCC.CC.CC1=NC2C=CC=CC2N1C.[V]
InChIInChI=1S/C9H12N2.2C2H6.V/c1-7-10-8-5-3-4-6-9(8)11(7)2;2*1-2;/h3-6,8-9H,1-2H3;2*1-2H3;
InChIKeyHYIDWSLBXTWUBV-UHFFFAOYSA-N
XLogP3.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134852398
5a,9a-Dihydropyrido[1,2-a]benzimidazole
CID 134852401
8-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863778
7-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863862
1-Hydroxy-2-methyl-3-oxido-3a,7a-dihydrobenzimidazol-3-ium
CID 134989802
5-Methyl-8-prop-2-enyl-2,3,5,6-tetrahydroimidazo[1,2-a]pyridine
CID 10797372
1-Methyl-3a,7a-dihydrobenzimidazole
CID 15762982
1-Ethyl-3a,7a-dihydrobenzimidazole
CID 18345221
2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 23396723
2-ethyl-N,1-dimethyl-2,5-dihydropyridin-6-imine
CID 56631950
1,2-Dimethyl-3a,7a-dihydrobenzimidazole
CID 57550427
1-Propan-2-yl-3a,7a-dihydrobenzimidazole
CID 58095321

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium?
The IUPAC name of 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium (CID 158623767) is 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium.
What is the SMILES notation for 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium?
The canonical SMILES for 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium is CC.CC.CC1=NC2C=CC=CC2N1C.[V].
What is the InChIKey of 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium?
The InChIKey is HYIDWSLBXTWUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.2C2H6.V/c1-7-10-8-5-3-4-6-9(8)11(7)2;2*1-2;/h3-6,8-9H,1-2H3;2*1-2H3;.
What are the key properties of 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium?
1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium has a molecular weight of 259.29 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3a,7a-dihydrobenzimidazole;ethane;vanadium is sourced from PubChem (CID 158623767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).