ethane;1-propan-2-yl-5,6-dihydrobenzimidazole

C12H20N2 — CID 165131061

IUPACethane;1-propan-2-yl-5,6-dihydrobenzimidazole
SMILESCC.CC(C)n1cnc2c1=CCCC=2
InChIInChI=1S/C10H14N2.C2H6/c1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyUPCVVVSXKYXQKL-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.85
Rot. Bonds1

About ethane;1-propan-2-yl-5,6-dihydrobenzimidazole

ethane;1-propan-2-yl-5,6-dihydrobenzimidazole (PubChem CID 165131061) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;1-propan-2-yl-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Nameethane;1-propan-2-yl-5,6-dihydrobenzimidazole
PubChem CID165131061
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;1-propan-2-yl-5,6-dihydrobenzimidazole
SMILESCC.CC(C)n1cnc2c1=CCCC=2
InChIInChI=1S/C10H14N2.C2H6/c1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyUPCVVVSXKYXQKL-UHFFFAOYSA-N
XLogP1.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-yl-5,6-dihydrobenzimidazole?
The IUPAC name of ethane;1-propan-2-yl-5,6-dihydrobenzimidazole (CID 165131061) is ethane;1-propan-2-yl-5,6-dihydrobenzimidazole.
What is the SMILES notation for ethane;1-propan-2-yl-5,6-dihydrobenzimidazole?
The canonical SMILES for ethane;1-propan-2-yl-5,6-dihydrobenzimidazole is CC.CC(C)n1cnc2c1=CCCC=2.
What is the InChIKey of ethane;1-propan-2-yl-5,6-dihydrobenzimidazole?
The InChIKey is UPCVVVSXKYXQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-2/h5-8H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-propan-2-yl-5,6-dihydrobenzimidazole?
ethane;1-propan-2-yl-5,6-dihydrobenzimidazole has a molecular weight of 192.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-yl-5,6-dihydrobenzimidazole is sourced from PubChem (CID 165131061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).