4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine

C16H14ClN3 — CID 25121395

IUPAC4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine
SMILESCc1c(Cl)cccc1C(c1ccncc1)c1cnc[nH]1
InChIInChI=1S/C16H14ClN3/c1-11-13(3-2-4-14(11)17)16(15-9-19-10-20-15)12-5-7-18-8-6-12/h2-10,16H,1H3,(H,19,20)
InChIKeyYHTKDBXVWFZPLZ-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.95
Rot. Bonds3

About 4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine

4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine (PubChem CID 25121395) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine
PubChem CID25121395
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine
SMILESCc1c(Cl)cccc1C(c1ccncc1)c1cnc[nH]1
InChIInChI=1S/C16H14ClN3/c1-11-13(3-2-4-14(11)17)16(15-9-19-10-20-15)12-5-7-18-8-6-12/h2-10,16H,1H3,(H,19,20)
InChIKeyYHTKDBXVWFZPLZ-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine?
The IUPAC name of 4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine (CID 25121395) is 4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine.
What is the SMILES notation for 4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine?
The canonical SMILES for 4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine is Cc1c(Cl)cccc1C(c1ccncc1)c1cnc[nH]1.
What is the InChIKey of 4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine?
The InChIKey is YHTKDBXVWFZPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-13(3-2-4-14(11)17)16(15-9-19-10-20-15)12-5-7-18-8-6-12/h2-10,16H,1H3,(H,19,20).
What are the key properties of 4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine?
4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine has a molecular weight of 283.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine is sourced from PubChem (CID 25121395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).