4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide

C20H19N7O2S — CID 55870096

IUPAC4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2ccc(OCc3nccn3C)cc2)c1
InChIInChI=1S/C20H19N7O2S/c1-26-11-10-21-18(26)13-29-17-8-6-14(7-9-17)19(28)22-15-4-3-5-16(12-15)27-20(30-2)23-24-25-27/h3-12H,13H2,1-2H3,(H,22,28)
InChIKeyLQUKHTOGCBEFNZ-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.95
Rot. Bonds7

About 4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide

4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (PubChem CID 55870096) has the molecular formula C20H19N7O2S and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
PubChem CID55870096
Molecular FormulaC20H19N7O2S
Molecular Weight421.49 g/mol
Exact Mass421.13
IUPAC Name4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2ccc(OCc3nccn3C)cc2)c1
InChIInChI=1S/C20H19N7O2S/c1-26-11-10-21-18(26)13-29-17-8-6-14(7-9-17)19(28)22-15-4-3-5-16(12-15)27-20(30-2)23-24-25-27/h3-12H,13H2,1-2H3,(H,22,28)
InChIKeyLQUKHTOGCBEFNZ-UHFFFAOYSA-N
XLogP2.95
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55584640
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56568506
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
2-butyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 38680986
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78860229
4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55869064

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (CID 55870096) is 4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is CSc1nnnn1-c1cccc(NC(=O)c2ccc(OCc3nccn3C)cc2)c1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The InChIKey is LQUKHTOGCBEFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2S/c1-26-11-10-21-18(26)13-29-17-8-6-14(7-9-17)19(28)22-15-4-3-5-16(12-15)27-20(30-2)23-24-25-27/h3-12H,13H2,1-2H3,(H,22,28).
What are the key properties of 4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide has a molecular weight of 421.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55870096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).