5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole

C20H21N5O — CID 50973496

IUPAC5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)on1
InChIInChI=1S/C20H21N5O/c1-14(2)10-16-11-17(26-24-16)12-25-13-23-18(15-6-4-3-5-7-15)19(25)20-21-8-9-22-20/h3-9,11,13-14H,10,12H2,1-2H3,(H,21,22)
InChIKeyGCULYUFBGDPNHL-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.18
Rot. Bonds6

About 5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole

5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole (PubChem CID 50973496) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole
PubChem CID50973496
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)on1
InChIInChI=1S/C20H21N5O/c1-14(2)10-16-11-17(26-24-16)12-25-13-23-18(15-6-4-3-5-7-15)19(25)20-21-8-9-22-20/h3-9,11,13-14H,10,12H2,1-2H3,(H,21,22)
InChIKeyGCULYUFBGDPNHL-UHFFFAOYSA-N
XLogP4.18
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole?
The IUPAC name of 5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole (CID 50973496) is 5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole.
What is the SMILES notation for 5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole?
The canonical SMILES for 5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole is CC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)on1.
What is the InChIKey of 5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole?
The InChIKey is GCULYUFBGDPNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(2)10-16-11-17(26-24-16)12-25-13-23-18(15-6-4-3-5-7-15)19(25)20-21-8-9-22-20/h3-9,11,13-14H,10,12H2,1-2H3,(H,21,22).
What are the key properties of 5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole?
5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole has a molecular weight of 347.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole is sourced from PubChem (CID 50973496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).