3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine

C16H17N3 — CID 11010423

IUPAC3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine
SMILESc1ccc(CN2CCN=C2Cc2cccnc2)cc1
InChIInChI=1S/C16H17N3/c1-2-5-14(6-3-1)13-19-10-9-18-16(19)11-15-7-4-8-17-12-15/h1-8,12H,9-11,13H2
InChIKeyBAFTWOGRWKGOHB-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.54
Rot. Bonds4

About 3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine

3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine (PubChem CID 11010423) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine
PubChem CID11010423
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine
SMILESc1ccc(CN2CCN=C2Cc2cccnc2)cc1
InChIInChI=1S/C16H17N3/c1-2-5-14(6-3-1)13-19-10-9-18-16(19)11-15-7-4-8-17-12-15/h1-8,12H,9-11,13H2
InChIKeyBAFTWOGRWKGOHB-UHFFFAOYSA-N
XLogP2.54
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Triprolidine
CID 5282443
Tripelennamine
CID 5587
Pheniramine
CID 4761
Tripelennamine Hydrochloride
CID 9066
Myosmine
CID 442649
Chloropyramine
CID 25295
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
3-Butylpyridine
CID 10874
Chloropyramine Hydrochloride
CID 80311
3-Phenylpyridine
CID 13886
2-(Benzylamino)pyridine
CID 23362

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine?
The IUPAC name of 3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine (CID 11010423) is 3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine.
What is the SMILES notation for 3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine?
The canonical SMILES for 3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine is c1ccc(CN2CCN=C2Cc2cccnc2)cc1.
What is the InChIKey of 3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine?
The InChIKey is BAFTWOGRWKGOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-5-14(6-3-1)13-19-10-9-18-16(19)11-15-7-4-8-17-12-15/h1-8,12H,9-11,13H2.
What are the key properties of 3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine?
3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine has a molecular weight of 251.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]pyridine is sourced from PubChem (CID 11010423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).