4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine

C19H24N6O — CID 70762868

IUPAC4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine
SMILESCOc1cccc(CCn2ccnc2-c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C19H24N6O/c1-26-17-4-2-3-15(13-17)7-11-24-12-10-21-19(24)18-14-25(23-22-18)16-5-8-20-9-6-16/h2-4,10,12-14,16,20H,5-9,11H2,1H3
InChIKeyAVIMVESDVBFJRZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.32
Rot. Bonds6

About 4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine

4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine (PubChem CID 70762868) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine
PubChem CID70762868
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine
SMILESCOc1cccc(CCn2ccnc2-c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C19H24N6O/c1-26-17-4-2-3-15(13-17)7-11-24-12-10-21-19(24)18-14-25(23-22-18)16-5-8-20-9-6-16/h2-4,10,12-14,16,20H,5-9,11H2,1H3
InChIKeyAVIMVESDVBFJRZ-UHFFFAOYSA-N
XLogP2.32
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine
CID 5289228
(3-Methoxy-benzyl)-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096451
4-(3-methoxyphenyl)-2-phenyl-1H-imidazole
CID 18673160
2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
CID 162396660
2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
CID 162396661
5-[3-(3-Methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708236
6-(3-Methoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 620319
N-Cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine
CID 10139996
4-(4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl)pyridine
CID 10639924
12-Benzyl-4-(3-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11036467
5-(3-Methoxy-phenyl)-7-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 15858667

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine?
The IUPAC name of 4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine (CID 70762868) is 4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine?
The canonical SMILES for 4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine is COc1cccc(CCn2ccnc2-c2cn(C3CCNCC3)nn2)c1.
What is the InChIKey of 4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine?
The InChIKey is AVIMVESDVBFJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-26-17-4-2-3-15(13-17)7-11-24-12-10-21-19(24)18-14-25(23-22-18)16-5-8-20-9-6-16/h2-4,10,12-14,16,20H,5-9,11H2,1H3.
What are the key properties of 4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine?
4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine has a molecular weight of 352.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[2-(3-methoxyphenyl)ethyl]imidazol-2-yl]triazol-1-yl]piperidine is sourced from PubChem (CID 70762868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).