ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole

C14H26N2 — CID 177037156

IUPACethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole
SMILESCC.CC.CC(C)C1N=C2C=CC=CC2N1
InChIInChI=1S/C10H14N2.2C2H6/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;2*1-2/h3-8,10-11H,1-2H3;2*1-2H3
InChIKeyYVWKMARFKHGOJZ-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.56
Rot. Bonds1

About ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole

ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole (PubChem CID 177037156) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Nameethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole
PubChem CID177037156
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole
SMILESCC.CC.CC(C)C1N=C2C=CC=CC2N1
InChIInChI=1S/C10H14N2.2C2H6/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;2*1-2/h3-8,10-11H,1-2H3;2*1-2H3
InChIKeyYVWKMARFKHGOJZ-UHFFFAOYSA-N
XLogP3.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole?
The IUPAC name of ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole (CID 177037156) is ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole?
The canonical SMILES for ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole is CC.CC.CC(C)C1N=C2C=CC=CC2N1.
What is the InChIKey of ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole?
The InChIKey is YVWKMARFKHGOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2C2H6/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;2*1-2/h3-8,10-11H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole?
ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole has a molecular weight of 222.38 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 177037156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).