ethane;2-methyl-5,6-dihydro-1H-benzimidazole

C10H16N2 — CID 143929296

IUPACethane;2-methyl-5,6-dihydro-1H-benzimidazole
SMILESCC.Cc1nc2c([nH]1)=CCCC=2
InChIInChI=1S/C8H10N2.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h4-5H,2-3H2,1H3,(H,9,10);1-2H3
InChIKeyNKCPVYCDQNBMAT-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.10
Rot. Bonds

About ethane;2-methyl-5,6-dihydro-1H-benzimidazole

ethane;2-methyl-5,6-dihydro-1H-benzimidazole (PubChem CID 143929296) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is ethane;2-methyl-5,6-dihydro-1H-benzimidazole.

Molecular Properties

Compound Nameethane;2-methyl-5,6-dihydro-1H-benzimidazole
PubChem CID143929296
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Nameethane;2-methyl-5,6-dihydro-1H-benzimidazole
SMILESCC.Cc1nc2c([nH]1)=CCCC=2
InChIInChI=1S/C8H10N2.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h4-5H,2-3H2,1H3,(H,9,10);1-2H3
InChIKeyNKCPVYCDQNBMAT-UHFFFAOYSA-N
XLogP1.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole
CID 123327195
(4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole
CID 126707395
1-Fluoro-2-methyl-5,6-dihydrobenzimidazole
CID 142910098
6-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 144315828
(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole
CID 145020415
4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 145497300
2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole
CID 175894186
2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
2-Methyl-1,5-dihydrocyclopenta[d]imidazole
CID 23558742
1,2,3-Trimethyl-5,6-dihydrobenzimidazol-3-ium
CID 59289989
2-methyl-5,6-dihydro-1H-benzimidazole
CID 68273979
2,6-dimethyl-5,6-dihydro-1H-benzimidazole
CID 89510027

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5,6-dihydro-1H-benzimidazole?
The IUPAC name of ethane;2-methyl-5,6-dihydro-1H-benzimidazole (CID 143929296) is ethane;2-methyl-5,6-dihydro-1H-benzimidazole.
What is the SMILES notation for ethane;2-methyl-5,6-dihydro-1H-benzimidazole?
The canonical SMILES for ethane;2-methyl-5,6-dihydro-1H-benzimidazole is CC.Cc1nc2c([nH]1)=CCCC=2.
What is the InChIKey of ethane;2-methyl-5,6-dihydro-1H-benzimidazole?
The InChIKey is NKCPVYCDQNBMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-2/h4-5H,2-3H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;2-methyl-5,6-dihydro-1H-benzimidazole?
ethane;2-methyl-5,6-dihydro-1H-benzimidazole has a molecular weight of 164.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5,6-dihydro-1H-benzimidazole is sourced from PubChem (CID 143929296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).