1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole

C15H14N8O — CID 56861022

IUPAC1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole
SMILESCOc1cc(-n2cnnn2)cc(-n2ccnc2-c2nc[nH]c2C)c1
InChIInChI=1S/C15H14N8O/c1-10-14(18-8-17-10)15-16-3-4-22(15)11-5-12(7-13(6-11)24-2)23-9-19-20-21-23/h3-9H,1-2H3,(H,17,18)
InChIKeyMLTNKEDQDSNZHD-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.56
Rot. Bonds4

About 1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole

1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole (PubChem CID 56861022) has the molecular formula C15H14N8O and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole.

Molecular Properties

Compound Name1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole
PubChem CID56861022
Molecular FormulaC15H14N8O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole
SMILESCOc1cc(-n2cnnn2)cc(-n2ccnc2-c2nc[nH]c2C)c1
InChIInChI=1S/C15H14N8O/c1-10-14(18-8-17-10)15-16-3-4-22(15)11-5-12(7-13(6-11)24-2)23-9-19-20-21-23/h3-9H,1-2H3,(H,17,18)
InChIKeyMLTNKEDQDSNZHD-UHFFFAOYSA-N
XLogP1.56
TPSA99.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]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 1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole?
The IUPAC name of 1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole (CID 56861022) is 1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole.
What is the SMILES notation for 1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole?
The canonical SMILES for 1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole is COc1cc(-n2cnnn2)cc(-n2ccnc2-c2nc[nH]c2C)c1.
What is the InChIKey of 1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole?
The InChIKey is MLTNKEDQDSNZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O/c1-10-14(18-8-17-10)15-16-3-4-22(15)11-5-12(7-13(6-11)24-2)23-9-19-20-21-23/h3-9H,1-2H3,(H,17,18).
What are the key properties of 1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole?
1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole has a molecular weight of 322.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole is sourced from PubChem (CID 56861022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).