5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole

C18H18N6O — CID 95199657

IUPAC5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
SMILESCc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2nn[nH]n2)oc1C
InChIInChI=1S/C18H18N6O/c1-11-9-15(25-13(11)3)17-16(14-7-5-4-6-8-14)19-10-24(17)12(2)18-20-22-23-21-18/h4-10,12H,1-3H3,(H,20,21,22,23)/t12-/m0/s1
InChIKeyJEBAEERJDRYGBY-LBPRGKRZSA-N
MW334.38 g/mol
LogP3.55
Rot. Bonds4

About 5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole

5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole (PubChem CID 95199657) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
PubChem CID95199657
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
SMILESCc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2nn[nH]n2)oc1C
InChIInChI=1S/C18H18N6O/c1-11-9-15(25-13(11)3)17-16(14-7-5-4-6-8-14)19-10-24(17)12(2)18-20-22-23-21-18/h4-10,12H,1-3H3,(H,20,21,22,23)/t12-/m0/s1
InChIKeyJEBAEERJDRYGBY-LBPRGKRZSA-N
XLogP3.55
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole?
The IUPAC name of 5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole (CID 95199657) is 5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole?
The canonical SMILES for 5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole is Cc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2nn[nH]n2)oc1C.
What is the InChIKey of 5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole?
The InChIKey is JEBAEERJDRYGBY-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11-9-15(25-13(11)3)17-16(14-7-5-4-6-8-14)19-10-24(17)12(2)18-20-22-23-21-18/h4-10,12H,1-3H3,(H,20,21,22,23)/t12-/m0/s1.
What are the key properties of 5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole?
5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole has a molecular weight of 334.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole is sourced from PubChem (CID 95199657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).