1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium

C10H15N2+ — CID 59289989

IUPAC1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium
SMILESCc1n(C)c2c([n+]1C)=CCCC=2
InChIInChI=1S/C10H15N2/c1-8-11(2)9-6-4-5-7-10(9)12(8)3/h6-7H,4-5H2,1-3H3/q+1
InChIKeyYVNCRHZZWWYLGH-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.49
Rot. Bonds

About 1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium

1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium (PubChem CID 59289989) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is 1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium.

Molecular Properties

Compound Name1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium
PubChem CID59289989
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium
SMILESCc1n(C)c2c([n+]1C)=CCCC=2
InChIInChI=1S/C10H15N2/c1-8-11(2)9-6-4-5-7-10(9)12(8)3/h6-7H,4-5H2,1-3H3/q+1
InChIKeyYVNCRHZZWWYLGH-UHFFFAOYSA-N
XLogP-0.49
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole
CID 135162214
1-Fluoro-2-methyl-5,6-dihydrobenzimidazole
CID 142910098
2-(1,1-Difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane
CID 169159777
Ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole
CID 169159779
(4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole
CID 170191493
Dimethylbenzimidazole cobalt chloride
CID 129704091
6-Chloro-5-fluoro-1,2-dimethyl-5,6-dihydrobenzimidazole
CID 144319145
2-(Difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole
CID 169159772
2-(1,1-Difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole
CID 169159778
1-Methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole
CID 169159780
2,3-dimethyl-5H-cyclopenta[d]imidazole
CID 54229219
1,2-Dimethyl-3a,7a-dihydrobenzimidazole
CID 57550427

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium?
The IUPAC name of 1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium (CID 59289989) is 1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium.
What is the SMILES notation for 1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium?
The canonical SMILES for 1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium is Cc1n(C)c2c([n+]1C)=CCCC=2.
What is the InChIKey of 1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium?
The InChIKey is YVNCRHZZWWYLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2/c1-8-11(2)9-6-4-5-7-10(9)12(8)3/h6-7H,4-5H2,1-3H3/q+1.
What are the key properties of 1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium?
1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium has a molecular weight of 163.24 g/mol, XLogP of -0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-5,6-dihydrobenzimidazol-3-ium is sourced from PubChem (CID 59289989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).