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

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Related Compounds

2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide
CID 10247814
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide
CID 11371348
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide
CID 11739527
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 16187303
6-Furan-2-yl-9-(1-phenyl-ethyl)-9H-purin-2-ylamine
CID 44401720
3-Benzyl-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridine
CID 51359014
2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19802452
US9096589, 5,8-Dimethyl-2-{2-[1-methyl-4-(5-methyl-furan-2-yl)-1H-imidazol-2-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250502
US9096589, 5,8-Dimethyl-2-{2-[1-methyl-4-(5-methyl-furan-2-yl)-1H-imidazol-2-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 53250651
US9096589, 5,7-Dimethyl-2-{2-[1-methyl-4-(5-methyl-furan-2-yl)-1H-imidazol-2-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53250652
US9669029, 61 8-Fluoro-2-{(E)-2-[1-methyl-4-(5-methyl-furan-2-yl)-1H-imidazol-2-yl]-vinyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 134128164
US9669029, 64 8-Fluoro-2-{2-[1-methyl-4-(5-methyl-furan-2-yl)-1H-imidazol-2-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 134128167

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).