4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol

C17H15N5O2 — CID 138807117

IUPAC4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol
SMILESCOc1ccc(O)cc1-c1nccn1-c1ccc2c(c1)nnn2C
InChIInChI=1S/C17H15N5O2/c1-21-15-5-3-11(9-14(15)19-20-21)22-8-7-18-17(22)13-10-12(23)4-6-16(13)24-2/h3-10,23H,1-2H3
InChIKeyPJYVIMXVMGSDQJ-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.54
Rot. Bonds3

About 4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol

4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol (PubChem CID 138807117) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol
PubChem CID138807117
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol
SMILESCOc1ccc(O)cc1-c1nccn1-c1ccc2c(c1)nnn2C
InChIInChI=1S/C17H15N5O2/c1-21-15-5-3-11(9-14(15)19-20-21)22-8-7-18-17(22)13-10-12(23)4-6-16(13)24-2/h3-10,23H,1-2H3
InChIKeyPJYVIMXVMGSDQJ-UHFFFAOYSA-N
XLogP2.54
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[1-(2-hydroxyethyl)benzimidazol-5-yl]imidazol-2-yl]-3-methoxyphenol
CID 138377916
3-ethyl-5-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]-1,2-oxazole
CID 138806913
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425
6-[2-(4-methoxy-3-methylphenyl)imidazol-1-yl]quinoxaline
CID 56880029
2-(2,5-dimethoxyphenyl)-1-methylimidazole
CID 82079235
4-[3-[2-(2,5-dimethoxyphenyl)imidazol-1-yl]-4-methylphenyl]-1,2,4-triazole
CID 70744471
1-(3-methoxy-4-propan-2-ylphenyl)-2-phenylimidazole
CID 156877703
2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid
CID 82513098
2-(2-methoxyphenyl)-1-[4-(1H-pyrazol-5-yl)phenyl]imidazole
CID 56873972
5-iodo-1-methylbenzotriazole
CID 10061094
4-methoxy-3-[1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-7-yl]phenol
CID 175065310
8-hydroxy-1,4-dimethoxy-5-methylindeno[1,2-b]indol-10-one
CID 11666719

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol?
The IUPAC name of 4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol (CID 138807117) is 4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol.
What is the SMILES notation for 4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol?
The canonical SMILES for 4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol is COc1ccc(O)cc1-c1nccn1-c1ccc2c(c1)nnn2C.
What is the InChIKey of 4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol?
The InChIKey is PJYVIMXVMGSDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-21-15-5-3-11(9-14(15)19-20-21)22-8-7-18-17(22)13-10-12(23)4-6-16(13)24-2/h3-10,23H,1-2H3.
What are the key properties of 4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol?
4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol has a molecular weight of 321.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(1-methylbenzotriazol-5-yl)imidazol-2-yl]phenol is sourced from PubChem (CID 138807117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).