5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole

C22H26N6 — CID 50955141

IUPAC5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole
SMILESCCCCc1ncc(-c2c(-c3ccccc3)ncn2CCCn2ccnc2)[nH]1
InChIInChI=1S/C22H26N6/c1-2-3-10-20-24-15-19(26-20)22-21(18-8-5-4-6-9-18)25-17-28(22)13-7-12-27-14-11-23-16-27/h4-6,8-9,11,14-17H,2-3,7,10,12-13H2,1H3,(H,24,26)
InChIKeyGZBZZNIJIBOQAC-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.57
Rot. Bonds9

About 5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole

5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole (PubChem CID 50955141) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole.

Molecular Properties

Compound Name5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole
PubChem CID50955141
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole
SMILESCCCCc1ncc(-c2c(-c3ccccc3)ncn2CCCn2ccnc2)[nH]1
InChIInChI=1S/C22H26N6/c1-2-3-10-20-24-15-19(26-20)22-21(18-8-5-4-6-9-18)25-17-28(22)13-7-12-27-14-11-23-16-27/h4-6,8-9,11,14-17H,2-3,7,10,12-13H2,1H3,(H,24,26)
InChIKeyGZBZZNIJIBOQAC-UHFFFAOYSA-N
XLogP4.57
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole?
The IUPAC name of 5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole (CID 50955141) is 5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole.
What is the SMILES notation for 5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole?
The canonical SMILES for 5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole is CCCCc1ncc(-c2c(-c3ccccc3)ncn2CCCn2ccnc2)[nH]1.
What is the InChIKey of 5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole?
The InChIKey is GZBZZNIJIBOQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-2-3-10-20-24-15-19(26-20)22-21(18-8-5-4-6-9-18)25-17-28(22)13-7-12-27-14-11-23-16-27/h4-6,8-9,11,14-17H,2-3,7,10,12-13H2,1H3,(H,24,26).
What are the key properties of 5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole?
5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole has a molecular weight of 374.49 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyl-1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylimidazole is sourced from PubChem (CID 50955141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).