1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole

C15H17N5O — CID 72858444

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole
SMILESc1ccc(COCc2cn(CCc3cnc[nH]3)nn2)cc1
InChIInChI=1S/C15H17N5O/c1-2-4-13(5-3-1)10-21-11-15-9-20(19-18-15)7-6-14-8-16-12-17-14/h1-5,8-9,12H,6-7,10-11H2,(H,16,17)
InChIKeyFAXCWLOOHMCTEN-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.96
Rot. Bonds7

About 1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole

1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole (PubChem CID 72858444) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole
PubChem CID72858444
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole
SMILESc1ccc(COCc2cn(CCc3cnc[nH]3)nn2)cc1
InChIInChI=1S/C15H17N5O/c1-2-4-13(5-3-1)10-21-11-15-9-20(19-18-15)7-6-14-8-16-12-17-14/h1-5,8-9,12H,6-7,10-11H2,(H,16,17)
InChIKeyFAXCWLOOHMCTEN-UHFFFAOYSA-N
XLogP1.96
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Proxyfan
CID 6421522
Iodoproxyfan
CID 132937
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 24825510
2-[4-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 24825519
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-3-oxa-1-azaspiro[4.4]non-1-ene
CID 24825523
4-(cyclohexylmethyl)-2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 24825525
(4R)-4-benzyl-2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 24825526
[123I]iodoproxyfan
CID 449663
4-[3-(3-Iodo-benzyloxy)-propyl]-1H-imidazole
CID 10712303
5-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole
CID 10934158
5-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-imidazole
CID 10978141
(2S)-1-(1H-imidazol-5-yl)-3-phenylmethoxypropan-2-amine
CID 10756874

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole (CID 72858444) is 1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole is c1ccc(COCc2cn(CCc3cnc[nH]3)nn2)cc1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole?
The InChIKey is FAXCWLOOHMCTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-4-13(5-3-1)10-21-11-15-9-20(19-18-15)7-6-14-8-16-12-17-14/h1-5,8-9,12H,6-7,10-11H2,(H,16,17).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole?
1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole has a molecular weight of 283.33 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]-4-(phenylmethoxymethyl)triazole is sourced from PubChem (CID 72858444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).