6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole

C18H17N5O — CID 15097172

IUPAC6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole
SMILESCC(c1ccc2nnn(OCc3ccccc3)c2c1)n1ccnc1
InChIInChI=1S/C18H17N5O/c1-14(22-10-9-19-13-22)16-7-8-17-18(11-16)23(21-20-17)24-12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3
InChIKeyUCJDZAZHAPQZTG-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.87
Rot. Bonds5

About 6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole

6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole (PubChem CID 15097172) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole.

Molecular Properties

Compound Name6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole
PubChem CID15097172
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole
SMILESCC(c1ccc2nnn(OCc3ccccc3)c2c1)n1ccnc1
InChIInChI=1S/C18H17N5O/c1-14(22-10-9-19-13-22)16-7-8-17-18(11-16)23(21-20-17)24-12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3
InChIKeyUCJDZAZHAPQZTG-UHFFFAOYSA-N
XLogP2.87
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[3,5-bis(phenylmethoxy)phenyl]ethyl]imidazole
CID 172603383
6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole
CID 7696637
methanesulfonic acid;1-(1-phenylethyl)imidazole
CID 174969600
6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole
CID 14990853
methyl 3-[(4-methoxycarbonylphenyl)methoxy]benzotriazole-5-carboxylate
CID 7705938
(1R)-1-imidazol-1-yl-2-phenylethanol
CID 91356696
1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole
CID 54769240
1-[(4-bromophenyl)methoxy]benzotriazole
CID 2966833
1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole
CID 14514381
2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-ol;hydrochloride
CID 23622885
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
1-(4-methyl-1-phenylpentan-3-yl)imidazole
CID 69408176

Frequently Asked Questions

What is the IUPAC name of 6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole?
The IUPAC name of 6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole (CID 15097172) is 6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole.
What is the SMILES notation for 6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole?
The canonical SMILES for 6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole is CC(c1ccc2nnn(OCc3ccccc3)c2c1)n1ccnc1.
What is the InChIKey of 6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole?
The InChIKey is UCJDZAZHAPQZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-14(22-10-9-19-13-22)16-7-8-17-18(11-16)23(21-20-17)24-12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3.
What are the key properties of 6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole?
6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole has a molecular weight of 319.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-imidazol-1-ylethyl)-1-phenylmethoxybenzotriazole is sourced from PubChem (CID 15097172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).