4,5,6-trimethyl-2H-benzimidazole

C10H12N2 — CID 59646218

IUPAC4,5,6-trimethyl-2H-benzimidazole
SMILESCc1cc2c(c(C)c1C)=NCN=2
InChIInChI=1S/C10H12N2/c1-6-4-9-10(12-5-11-9)8(3)7(6)2/h4H,5H2,1-3H3
InChIKeyCISQKOUBDNMJIO-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.82
Rot. Bonds

About 4,5,6-trimethyl-2H-benzimidazole

4,5,6-trimethyl-2H-benzimidazole (PubChem CID 59646218) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4,5,6-trimethyl-2H-benzimidazole.

Molecular Properties

Compound Name4,5,6-trimethyl-2H-benzimidazole
PubChem CID59646218
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4,5,6-trimethyl-2H-benzimidazole
SMILESCc1cc2c(c(C)c1C)=NCN=2
InChIInChI=1S/C10H12N2/c1-6-4-9-10(12-5-11-9)8(3)7(6)2/h4H,5H2,1-3H3
InChIKeyCISQKOUBDNMJIO-UHFFFAOYSA-N
XLogP0.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-2H-benzimidazole
CID 11435022
4-Methylbenzimidazolone
CID 20360222
2-Methylindol-2-ylium
CID 57054412
2-methyl-2H-indole
CID 58371059
Dimethylbenzimidazolone
CID 68557084
Isopropenylbenzimidazolone
CID 70098456
2,7-Dihydronaphtho[1,2-d:5,6-d']diimidazole
CID 122502605
5-Methyl-2H-benzimidazole-2-thione
CID 89573955
5-fluoro-6-propan-2-yl-2H-benzimidazole
CID 118410732
5-fluoro-4,7-dimethyl-2H-benzimidazole
CID 130209575
6-fluoro-4-methyl-2H-benzimidazole
CID 161965286
4-fluoro-1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 170254474

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2H-benzimidazole?
The IUPAC name of 4,5,6-trimethyl-2H-benzimidazole (CID 59646218) is 4,5,6-trimethyl-2H-benzimidazole.
What is the SMILES notation for 4,5,6-trimethyl-2H-benzimidazole?
The canonical SMILES for 4,5,6-trimethyl-2H-benzimidazole is Cc1cc2c(c(C)c1C)=NCN=2.
What is the InChIKey of 4,5,6-trimethyl-2H-benzimidazole?
The InChIKey is CISQKOUBDNMJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-6-4-9-10(12-5-11-9)8(3)7(6)2/h4H,5H2,1-3H3.
What are the key properties of 4,5,6-trimethyl-2H-benzimidazole?
4,5,6-trimethyl-2H-benzimidazole has a molecular weight of 160.22 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2H-benzimidazole is sourced from PubChem (CID 59646218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).