5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole

C19H20N6S — CID 11995658

IUPAC5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole
SMILESCC(C)Cc1cc(-c2ccc(Cn3ccnc3)cc2)c(-c2nn[nH]n2)s1
InChIInChI=1S/C19H20N6S/c1-13(2)9-16-10-17(18(26-16)19-21-23-24-22-19)15-5-3-14(4-6-15)11-25-8-7-20-12-25/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,22,23,24)
InChIKeyQMMKUICFNTWQCR-UHFFFAOYSA-N
MW364.48 g/mol
LogP4.04
Rot. Bonds6

About 5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole

5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole (PubChem CID 11995658) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is 5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole
PubChem CID11995658
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC Name5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole
SMILESCC(C)Cc1cc(-c2ccc(Cn3ccnc3)cc2)c(-c2nn[nH]n2)s1
InChIInChI=1S/C19H20N6S/c1-13(2)9-16-10-17(18(26-16)19-21-23-24-22-19)15-5-3-14(4-6-15)11-25-8-7-20-12-25/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,22,23,24)
InChIKeyQMMKUICFNTWQCR-UHFFFAOYSA-N
XLogP4.04
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-Thiophen-3-ylphenyl)propyl]imidazole
CID 25099144
5-[(E)-1-[2-butyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-3-thiophen-2-ylprop-1-en-2-yl]-2H-tetrazole
CID 14952940
5-[1-[2-butyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-3-thiophen-2-ylprop-1-en-2-yl]-2H-tetrazole
CID 49823962
3-(1-methylimidazol-2-yl)-5-[(E)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethenyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazole
CID 176556160
1-[(1-Methyl-4-phenyl-pyrrol-3-yl)-(2-thienyl)methyl]imidazole
CID 460722
1-[(1-Methyl-4-phenyl-pyrrol-3-yl)-(3-thienyl)methyl]imidazole
CID 460724
3-(1-Methylimidazol-2-yl)-5-[2-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazole
CID 177659629
N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine
CID 19017748
3-{[2-(2-methyl-1-benzothien-3-yl)-1H-imidazol-1-yl]methyl}-4-propyl-4H-1,2,4-triazole
CID 56877560
3-{[2-(1-benzothien-2-yl)-1H-imidazol-1-yl]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 70755161
N,N-dimethyl-1-(5-{1-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-imidazol-2-yl}-3-thienyl)methanamine
CID 70783955
5-[(Z)-1-[2-butyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-3-thiophen-2-ylprop-1-en-2-yl]-2H-tetrazole
CID 67833530

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole?
The IUPAC name of 5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole (CID 11995658) is 5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole?
The canonical SMILES for 5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole is CC(C)Cc1cc(-c2ccc(Cn3ccnc3)cc2)c(-c2nn[nH]n2)s1.
What is the InChIKey of 5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole?
The InChIKey is QMMKUICFNTWQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S/c1-13(2)9-16-10-17(18(26-16)19-21-23-24-22-19)15-5-3-14(4-6-15)11-25-8-7-20-12-25/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,22,23,24).
What are the key properties of 5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole?
5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole has a molecular weight of 364.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole is sourced from PubChem (CID 11995658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).