4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine

C19H17N5 — CID 50957636

IUPAC4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
SMILESc1ccc(-c2ncn(CCc3cnc[nH]3)c2-c2ccncc2)cc1
InChIInChI=1S/C19H17N5/c1-2-4-15(5-3-1)18-19(16-6-9-20-10-7-16)24(14-23-18)11-8-17-12-21-13-22-17/h1-7,9-10,12-14H,8,11H2,(H,21,22)
InChIKeyTXLPJKNAHKQMEJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.58
Rot. Bonds5

About 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine

4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine (PubChem CID 50957636) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
PubChem CID50957636
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
SMILESc1ccc(-c2ncn(CCc3cnc[nH]3)c2-c2ccncc2)cc1
InChIInChI=1S/C19H17N5/c1-2-4-15(5-3-1)18-19(16-6-9-20-10-7-16)24(14-23-18)11-8-17-12-21-13-22-17/h1-7,9-10,12-14H,8,11H2,(H,21,22)
InChIKeyTXLPJKNAHKQMEJ-UHFFFAOYSA-N
XLogP3.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine?
The IUPAC name of 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine (CID 50957636) is 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine?
The canonical SMILES for 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine is c1ccc(-c2ncn(CCc3cnc[nH]3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine?
The InChIKey is TXLPJKNAHKQMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-2-4-15(5-3-1)18-19(16-6-9-20-10-7-16)24(14-23-18)11-8-17-12-21-13-22-17/h1-7,9-10,12-14H,8,11H2,(H,21,22).
What are the key properties of 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine?
4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine has a molecular weight of 315.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine is sourced from PubChem (CID 50957636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).