7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole

C20H18N3+ — CID 176737875

IUPAC7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole
SMILESCc1ccccc1-c1cccc2ncn(-c3cccc[n+]3C)c12
InChIInChI=1S/C20H18N3/c1-15-8-3-4-9-16(15)17-10-7-11-18-20(17)23(14-21-18)19-12-5-6-13-22(19)2/h3-14H,1-2H3/q+1
InChIKeyQGYXSIJDDMHFQK-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.83
Rot. Bonds2

About 7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole

7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole (PubChem CID 176737875) has the molecular formula C20H18N3+ and a molecular weight of 300.38 g/mol. Its IUPAC name is 7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole.

Molecular Properties

Compound Name7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole
PubChem CID176737875
Molecular FormulaC20H18N3+
Molecular Weight300.38 g/mol
Exact Mass300.15
IUPAC Name7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole
SMILESCc1ccccc1-c1cccc2ncn(-c3cccc[n+]3C)c12
InChIInChI=1S/C20H18N3/c1-15-8-3-4-9-16(15)17-10-7-11-18-20(17)23(14-21-18)19-12-5-6-13-22(19)2/h3-14H,1-2H3/q+1
InChIKeyQGYXSIJDDMHFQK-UHFFFAOYSA-N
XLogP3.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile
CID 59218676
1-methyl-8-(2-methylphenyl)quinolin-1-ium
CID 176621990
2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
CID 58240330
1-benzyl-7-methylbenzimidazole
CID 10933051
1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole
CID 176737848
1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 149275149
3-methyl-2-(2-methylphenyl)quinazolin-3-ium
CID 123266247
2-imidazol-1-yl-1-methylpyridin-1-ium
CID 19742632
18-methyl-16-(1-methylpyridin-1-ium-2-yl)-14-phenyl-1,14,16-triaza-15-borapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,17,19,21-nonaene
CID 166589311
5-(2-methylphenyl)-1-phenylbenzimidazole
CID 144976138
1-benzyl-7-(2-methylphenyl)benzotriazole
CID 177481285
2-(7-methylbenzimidazol-1-yl)acetic acid
CID 11735640

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole?
The IUPAC name of 7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole (CID 176737875) is 7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole.
What is the SMILES notation for 7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole?
The canonical SMILES for 7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole is Cc1ccccc1-c1cccc2ncn(-c3cccc[n+]3C)c12.
What is the InChIKey of 7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole?
The InChIKey is QGYXSIJDDMHFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N3/c1-15-8-3-4-9-16(15)17-10-7-11-18-20(17)23(14-21-18)19-12-5-6-13-22(19)2/h3-14H,1-2H3/q+1.
What are the key properties of 7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole?
7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole has a molecular weight of 300.38 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)benzimidazole is sourced from PubChem (CID 176737875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).