ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole

C12H20N2 — CID 145127812

IUPACethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole
SMILESCC.CC[C@H]1C=c2[nH]cnc2=C(C)C1
InChIInChI=1S/C10H14N2.C2H6/c1-3-8-4-7(2)10-9(5-8)11-6-12-10;1-2/h5-6,8H,3-4H2,1-2H3,(H,11,12);1-2H3/t8-;/m1./s1
InChIKeyZGSSJLGMHCSRJZ-DDWIOCJRSA-N
MW192.31 g/mol
LogP1.82
Rot. Bonds1

About ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole

ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole (PubChem CID 145127812) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole.

Molecular Properties

Compound Nameethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole
PubChem CID145127812
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole
SMILESCC.CC[C@H]1C=c2[nH]cnc2=C(C)C1
InChIInChI=1S/C10H14N2.C2H6/c1-3-8-4-7(2)10-9(5-8)11-6-12-10;1-2/h5-6,8H,3-4H2,1-2H3,(H,11,12);1-2H3/t8-;/m1./s1
InChIKeyZGSSJLGMHCSRJZ-DDWIOCJRSA-N
XLogP1.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole?
The IUPAC name of ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole (CID 145127812) is ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole.
What is the SMILES notation for ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole?
The canonical SMILES for ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole is CC.CC[C@H]1C=c2[nH]cnc2=C(C)C1.
What is the InChIKey of ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole?
The InChIKey is ZGSSJLGMHCSRJZ-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-3-8-4-7(2)10-9(5-8)11-6-12-10;1-2/h5-6,8H,3-4H2,1-2H3,(H,11,12);1-2H3/t8-;/m1./s1.
What are the key properties of ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole?
ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole has a molecular weight of 192.31 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6R)-6-ethyl-4-methyl-5,6-dihydro-1H-benzimidazole is sourced from PubChem (CID 145127812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).