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

C16H17N3 — CID 54023551

IUPAC2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine
SMILESCN1CCN=C1C(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H17N3/c1-19-12-11-18-16(19)15(13-7-3-2-4-8-13)14-9-5-6-10-17-14/h2-10,15H,11-12H2,1H3
InChIKeyLAPAMUSAEHKHGW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.56
Rot. Bonds3

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

2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine (PubChem CID 54023551) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine.

Molecular Properties

Compound Name2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine
PubChem CID54023551
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine
SMILESCN1CCN=C1C(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H17N3/c1-19-12-11-18-16(19)15(13-7-3-2-4-8-13)14-9-5-6-10-17-14/h2-10,15H,11-12H2,1H3
InChIKeyLAPAMUSAEHKHGW-UHFFFAOYSA-N
XLogP2.56
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine?
The IUPAC name of 2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine (CID 54023551) is 2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine.
What is the SMILES notation for 2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine?
The canonical SMILES for 2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine is CN1CCN=C1C(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine?
The InChIKey is LAPAMUSAEHKHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-19-12-11-18-16(19)15(13-7-3-2-4-8-13)14-9-5-6-10-17-14/h2-10,15H,11-12H2,1H3.
What are the key properties of 2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine?
2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine has a molecular weight of 251.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4,5-dihydroimidazol-2-yl)-phenylmethyl]pyridine is sourced from PubChem (CID 54023551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).