5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine

C22H19N3 — CID 57329943

IUPAC5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine
SMILESc1ccc2c(-c3ccc(C(C4CC4)n4ccnc4)cn3)cccc2c1
InChIInChI=1S/C22H19N3/c1-2-6-19-16(4-1)5-3-7-20(19)21-11-10-18(14-24-21)22(17-8-9-17)25-13-12-23-15-25/h1-7,10-15,17,22H,8-9H2
InChIKeyHNRDWGMIZLZSQA-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.10
Rot. Bonds4

About 5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine

5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine (PubChem CID 57329943) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine.

Molecular Properties

Compound Name5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine
PubChem CID57329943
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine
SMILESc1ccc2c(-c3ccc(C(C4CC4)n4ccnc4)cn3)cccc2c1
InChIInChI=1S/C22H19N3/c1-2-6-19-16(4-1)5-3-7-20(19)21-11-10-18(14-24-21)22(17-8-9-17)25-13-12-23-15-25/h1-7,10-15,17,22H,8-9H2
InChIKeyHNRDWGMIZLZSQA-UHFFFAOYSA-N
XLogP5.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine?
The IUPAC name of 5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine (CID 57329943) is 5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine.
What is the SMILES notation for 5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine?
The canonical SMILES for 5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine is c1ccc2c(-c3ccc(C(C4CC4)n4ccnc4)cn3)cccc2c1.
What is the InChIKey of 5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine?
The InChIKey is HNRDWGMIZLZSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-2-6-19-16(4-1)5-3-7-20(19)21-11-10-18(14-24-21)22(17-8-9-17)25-13-12-23-15-25/h1-7,10-15,17,22H,8-9H2.
What are the key properties of 5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine?
5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine has a molecular weight of 325.42 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(imidazol-1-yl)methyl]-2-naphthalen-1-ylpyridine is sourced from PubChem (CID 57329943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).