ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole

C13H22N2 — CID 143715536

IUPACethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole
SMILESCC.CC(C)C1=CC2C(=NCN2C)C=C1
InChIInChI=1S/C11H16N2.C2H6/c1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-2/h4-6,8,11H,7H2,1-3H3;1-2H3
InChIKeyBMURIPOVLLIZEZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.88
Rot. Bonds1

About ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole

ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole (PubChem CID 143715536) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole.

Molecular Properties

Compound Nameethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole
PubChem CID143715536
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole
SMILESCC.CC(C)C1=CC2C(=NCN2C)C=C1
InChIInChI=1S/C11H16N2.C2H6/c1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-2/h4-6,8,11H,7H2,1-3H3;1-2H3
InChIKeyBMURIPOVLLIZEZ-UHFFFAOYSA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-pyrrolidin-1-ylindole
CID 54441439
1-butyl-3-ethyl-2H-benzimidazole-1,3-diium
CID 57972525
2-propan-2-yl-2H-indole
CID 68035386
1,2,3,4-tetramethyl-2H-indol-1-ium iodide
CID 87401852
1,2,3,5-tetramethyl-2H-indol-1-ium iodide
CID 88053066
3-Methyl-2,3a-dihydrobenzimidazole
CID 90246614
2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium
CID 90422117
2-ethyl-1-methyl-2H-benzimidazol-1-ium
CID 90908036
2-methyl-5-propan-2-yl-2H-benzimidazole
CID 117619716
9-methyl-8aH-carbazol-9-ium
CID 123210854
5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine
CID 135294824
2-[(1E,3Z)-cycloocta-1,3,6-trien-1-yl]-3-(6-methyl-2,3-dihydropyridin-2-yl)-2,3a-dihydrobenzimidazole;ethane
CID 144569188

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole?
The IUPAC name of ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole (CID 143715536) is ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole.
What is the SMILES notation for ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole?
The canonical SMILES for ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole is CC.CC(C)C1=CC2C(=NCN2C)C=C1.
What is the InChIKey of ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole?
The InChIKey is BMURIPOVLLIZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-2/h4-6,8,11H,7H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole?
ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole has a molecular weight of 206.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole is sourced from PubChem (CID 143715536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).