6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen

C8H12N2 — CID 143181218

IUPAC6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen
SMILESCC1C=c2[nH]cnc2=CC1.[H][H]
InChIInChI=1S/C8H10N2.H2/c1-6-2-3-7-8(4-6)10-5-9-7;/h3-6H,2H2,1H3,(H,9,10);1H
InChIKeyODDLSIAYXLWOHS-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.26
Rot. Bonds

About 6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen

6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen (PubChem CID 143181218) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen.

Molecular Properties

Compound Name6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen
PubChem CID143181218
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen
SMILESCC1C=c2[nH]cnc2=CC1.[H][H]
InChIInChI=1S/C8H10N2.H2/c1-6-2-3-7-8(4-6)10-5-9-7;/h3-6H,2H2,1H3,(H,9,10);1H
InChIKeyODDLSIAYXLWOHS-UHFFFAOYSA-N
XLogP0.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(trifluoromethyl)-5,6-dihydro-1H-benzimidazole
CID 144356585
5,6-dihydro-3H-benzimidazol-5-amine
CID 67036041
5,6-dihydro-1H-benzimidazole
CID 68269788
6-methyl-5,6-dihydro-1H-benzimidazole
CID 68310961
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole
CID 70866026
6-ethyl-5,6-dihydro-1H-benzimidazole
CID 89554317
5-Ethyl-1,5-dihydrocyclohepta[d]imidazole
CID 90804615
5-Methyl-1,5-dihydrocyclohepta[d]imidazole
CID 122463259
4-methyl-5,6-dihydro-1H-benzimidazole
CID 130254986
6-methyl-3a,4-dihydro-1H-benzimidazole
CID 134239539
(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole
CID 134444617
4-methyl-3a,4-dihydro-1H-benzimidazole
CID 134546157

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen?
The IUPAC name of 6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen (CID 143181218) is 6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen.
What is the SMILES notation for 6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen?
The canonical SMILES for 6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen is CC1C=c2[nH]cnc2=CC1.[H][H].
What is the InChIKey of 6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen?
The InChIKey is ODDLSIAYXLWOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.H2/c1-6-2-3-7-8(4-6)10-5-9-7;/h3-6H,2H2,1H3,(H,9,10);1H.
What are the key properties of 6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen?
6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen has a molecular weight of 136.20 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,6-dihydro-1H-benzimidazole;molecular hydrogen is sourced from PubChem (CID 143181218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).