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

C18H17N3 — CID 67509960

IUPAC5-[cyclopropyl(imidazol-1-yl)methyl]-2-phenylpyridine
SMILESc1ccc(-c2ccc(C(C3CC3)n3ccnc3)cn2)cc1
InChIInChI=1S/C18H17N3/c1-2-4-14(5-3-1)17-9-8-16(12-20-17)18(15-6-7-15)21-11-10-19-13-21/h1-5,8-13,15,18H,6-7H2
InChIKeyRYRXUQCFPUTTCL-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.94
Rot. Bonds4

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

5-[cyclopropyl(imidazol-1-yl)methyl]-2-phenylpyridine (PubChem CID 67509960) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-[cyclopropyl(imidazol-1-yl)methyl]-2-phenylpyridine.

Molecular Properties

Compound Name5-[cyclopropyl(imidazol-1-yl)methyl]-2-phenylpyridine
PubChem CID67509960
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name5-[cyclopropyl(imidazol-1-yl)methyl]-2-phenylpyridine
SMILESc1ccc(-c2ccc(C(C3CC3)n3ccnc3)cn2)cc1
InChIInChI=1S/C18H17N3/c1-2-4-14(5-3-1)17-9-8-16(12-20-17)18(15-6-7-15)21-11-10-19-13-21/h1-5,8-13,15,18H,6-7H2
InChIKeyRYRXUQCFPUTTCL-UHFFFAOYSA-N
XLogP3.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.94
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-phenylpyridine?
The IUPAC name of 5-[cyclopropyl(imidazol-1-yl)methyl]-2-phenylpyridine (CID 67509960) is 5-[cyclopropyl(imidazol-1-yl)methyl]-2-phenylpyridine.
What is the SMILES notation for 5-[cyclopropyl(imidazol-1-yl)methyl]-2-phenylpyridine?
The canonical SMILES for 5-[cyclopropyl(imidazol-1-yl)methyl]-2-phenylpyridine is c1ccc(-c2ccc(C(C3CC3)n3ccnc3)cn2)cc1.
What is the InChIKey of 5-[cyclopropyl(imidazol-1-yl)methyl]-2-phenylpyridine?
The InChIKey is RYRXUQCFPUTTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-4-14(5-3-1)17-9-8-16(12-20-17)18(15-6-7-15)21-11-10-19-13-21/h1-5,8-13,15,18H,6-7H2.
What are the key properties of 5-[cyclopropyl(imidazol-1-yl)methyl]-2-phenylpyridine?
5-[cyclopropyl(imidazol-1-yl)methyl]-2-phenylpyridine has a molecular weight of 275.36 g/mol, XLogP of 3.94, 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-phenylpyridine is sourced from PubChem (CID 67509960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).