1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole

C14H16N3+ — CID 5211206

IUPAC1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole
SMILESCN1c2ccccc2N(C)C1c1ccc[nH+]c1
InChIInChI=1S/C14H15N3/c1-16-12-7-3-4-8-13(12)17(2)14(16)11-6-5-9-15-10-11/h3-10,14H,1-2H3/p+1
InChIKeyDGJIRYNNEJVSCJ-UHFFFAOYSA-O
MW226.30 g/mol
LogP2.09
Rot. Bonds1

About 1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole

1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole (PubChem CID 5211206) has the molecular formula C14H16N3+ and a molecular weight of 226.30 g/mol. Its IUPAC name is 1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole.

Molecular Properties

Compound Name1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole
PubChem CID5211206
Molecular FormulaC14H16N3+
Molecular Weight226.30 g/mol
Exact Mass226.13
IUPAC Name1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole
SMILESCN1c2ccccc2N(C)C1c1ccc[nH+]c1
InChIInChI=1S/C14H15N3/c1-16-12-7-3-4-8-13(12)17(2)14(16)11-6-5-9-15-10-11/h3-10,14H,1-2H3/p+1
InChIKeyDGJIRYNNEJVSCJ-UHFFFAOYSA-O
XLogP2.09
TPSA20.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
CID 776564
1,3-dimethyl-2-(1-phenylpyridin-1-ium-4-yl)-2H-benzimidazole
CID 164545217
5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol
CID 914373
2-methoxy-1,3-dimethyl-2H-benzimidazole
CID 58577333
1,3-dimethyl-2-phenyl-2,4-dihydroquinazoline
CID 102219318
1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole
CID 677364
1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine
CID 79677506
bis((2R)-2-pyridin-1-ium-3-yl-1-azoniabicyclo[3.2.2]nonane);tetrachloride;hydrate
CID 139090644
(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7106412
2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121410
(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7386974
2,4-dibromo-6-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
CID 4588146

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole?
The IUPAC name of 1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole (CID 5211206) is 1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole.
What is the SMILES notation for 1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole?
The canonical SMILES for 1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole is CN1c2ccccc2N(C)C1c1ccc[nH+]c1.
What is the InChIKey of 1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole?
The InChIKey is DGJIRYNNEJVSCJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15N3/c1-16-12-7-3-4-8-13(12)17(2)14(16)11-6-5-9-15-10-11/h3-10,14H,1-2H3/p+1.
What are the key properties of 1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole?
1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole has a molecular weight of 226.30 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-pyridin-1-ium-3-yl-2H-benzimidazole is sourced from PubChem (CID 5211206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).