5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole

C20H22N6 — CID 95128392

IUPAC5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole
SMILESCC[C@@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1nccn1C
InChIInChI=1S/C20H22N6/c1-4-16(17-10-11-23-25(17)3)26-14-22-18(15-8-6-5-7-9-15)19(26)20-21-12-13-24(20)2/h5-14,16H,4H2,1-3H3/t16-/m0/s1
InChIKeyZMQYWQKFXFNSIH-INIZCTEOSA-N
MW346.44 g/mol
LogP3.68
Rot. Bonds5

About 5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole

5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole (PubChem CID 95128392) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole
PubChem CID95128392
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole
SMILESCC[C@@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1nccn1C
InChIInChI=1S/C20H22N6/c1-4-16(17-10-11-23-25(17)3)26-14-22-18(15-8-6-5-7-9-15)19(26)20-21-12-13-24(20)2/h5-14,16H,4H2,1-3H3/t16-/m0/s1
InChIKeyZMQYWQKFXFNSIH-INIZCTEOSA-N
XLogP3.68
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole?
The IUPAC name of 5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole (CID 95128392) is 5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole?
The canonical SMILES for 5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole is CC[C@@H](c1ccnn1C)n1cnc(-c2ccccc2)c1-c1nccn1C.
What is the InChIKey of 5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole?
The InChIKey is ZMQYWQKFXFNSIH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N6/c1-4-16(17-10-11-23-25(17)3)26-14-22-18(15-8-6-5-7-9-15)19(26)20-21-12-13-24(20)2/h5-14,16H,4H2,1-3H3/t16-/m0/s1.
What are the key properties of 5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole?
5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole has a molecular weight of 346.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)-1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-phenylimidazole is sourced from PubChem (CID 95128392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).