5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium

C15H20N3+ — CID 3540093

IUPAC5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium
SMILESCn1cnc2c1CC[N+](C)(Cc1ccccc1)C2
InChIInChI=1S/C15H20N3/c1-17-12-16-14-11-18(2,9-8-15(14)17)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/q+1
InChIKeyGCBXQWWPVQYOPQ-UHFFFAOYSA-N
MW242.35 g/mol
LogP2.12
Rot. Bonds2

About 5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium

5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium (PubChem CID 3540093) has the molecular formula C15H20N3+ and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium.

Molecular Properties

Compound Name5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium
PubChem CID3540093
Molecular FormulaC15H20N3+
Molecular Weight242.35 g/mol
Exact Mass242.17
IUPAC Name5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium
SMILESCn1cnc2c1CC[N+](C)(Cc1ccccc1)C2
InChIInChI=1S/C15H20N3/c1-17-12-16-14-11-18(2,9-8-15(14)17)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/q+1
InChIKeyGCBXQWWPVQYOPQ-UHFFFAOYSA-N
XLogP2.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium?
The IUPAC name of 5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium (CID 3540093) is 5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium.
What is the SMILES notation for 5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium?
The canonical SMILES for 5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium is Cn1cnc2c1CC[N+](C)(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium?
The InChIKey is GCBXQWWPVQYOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N3/c1-17-12-16-14-11-18(2,9-8-15(14)17)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/q+1.
What are the key properties of 5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium?
5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium has a molecular weight of 242.35 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 3540093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).