2-methyl-4H-benzimidazole

C8H8N2 — CID 12998085

IUPAC2-methyl-4H-benzimidazole
SMILESCC1=NC2=CC=CCC2=N1
InChIInChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-4H,5H2,1H3
InChIKeyYLIDRQUUQXKBMZ-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.70
Rot. Bonds

About 2-methyl-4H-benzimidazole

2-methyl-4H-benzimidazole (PubChem CID 12998085) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 2-methyl-4H-benzimidazole.

Molecular Properties

Compound Name2-methyl-4H-benzimidazole
PubChem CID12998085
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name2-methyl-4H-benzimidazole
SMILESCC1=NC2=CC=CCC2=N1
InChIInChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-4H,5H2,1H3
InChIKeyYLIDRQUUQXKBMZ-UHFFFAOYSA-N
XLogP1.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-benzimidazole
CID 9548686
2,2-Dimethyl-2H-benzimidazole
CID 11435022
2-Methylenebenzimidazole
CID 22181905
2-(trifluoromethyl)-4H-benzimidazole
CID 144426730
2-(trifluoromethyl)-4H-benzimidazole;hydrochloride
CID 144426732
16-Methyl-2,9,15,17-tetrazatetracyclo[8.7.0.01,14.03,8]heptadeca-2,4,6,8,10,12,14,16-octaene
CID 91456622
2-Methylimidazobenzimidazole
CID 129758414
2,4-dimethyl-5H-pyrimido[4,5-b]indole
CID 19067856
2,2-Dimethylbenzimidazol-4-amine
CID 20537722
N,N,2,2-tetramethylbenzimidazol-4-amine
CID 20537751
8,10-Diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 21887617
1H-indolo[2,3-b]quinoxaline
CID 21888108

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-benzimidazole?
The IUPAC name of 2-methyl-4H-benzimidazole (CID 12998085) is 2-methyl-4H-benzimidazole.
What is the SMILES notation for 2-methyl-4H-benzimidazole?
The canonical SMILES for 2-methyl-4H-benzimidazole is CC1=NC2=CC=CCC2=N1.
What is the InChIKey of 2-methyl-4H-benzimidazole?
The InChIKey is YLIDRQUUQXKBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-4H,5H2,1H3.
What are the key properties of 2-methyl-4H-benzimidazole?
2-methyl-4H-benzimidazole has a molecular weight of 132.17 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-benzimidazole is sourced from PubChem (CID 12998085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).