1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine

C17H21N7 — CID 91830071

IUPAC1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
SMILESc1ccc(Cn2ccnc2CN2CCN(c3ncn[nH]3)CC2)cc1
InChIInChI=1S/C17H21N7/c1-2-4-15(5-3-1)12-24-7-6-18-16(24)13-22-8-10-23(11-9-22)17-19-14-20-21-17/h1-7,14H,8-13H2,(H,19,20,21)
InChIKeyREMZJMKPJJJECR-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.37
Rot. Bonds5

About 1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine

1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine (PubChem CID 91830071) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
PubChem CID91830071
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
SMILESc1ccc(Cn2ccnc2CN2CCN(c3ncn[nH]3)CC2)cc1
InChIInChI=1S/C17H21N7/c1-2-4-15(5-3-1)12-24-7-6-18-16(24)13-22-8-10-23(11-9-22)17-19-14-20-21-17/h1-7,14H,8-13H2,(H,19,20,21)
InChIKeyREMZJMKPJJJECR-UHFFFAOYSA-N
XLogP1.37
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
CID 110887635
1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 118765657
methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
CID 78900342
(2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 122591289
(9aR)-2-[(1-benzylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124607255
(6R)-1-[(1-benzylimidazol-2-yl)methyl]-4-(3-hydroxypropyl)-1,4-diazepan-6-ol
CID 100599963
(3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 124753933
ethenyl 4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxylate
CID 3454989
1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968227
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
(3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol
CID 72869391
[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol
CID 70756981

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine (CID 91830071) is 1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine is c1ccc(Cn2ccnc2CN2CCN(c3ncn[nH]3)CC2)cc1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
The InChIKey is REMZJMKPJJJECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-2-4-15(5-3-1)12-24-7-6-18-16(24)13-22-8-10-23(11-9-22)17-19-14-20-21-17/h1-7,14H,8-13H2,(H,19,20,21).
What are the key properties of 1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine has a molecular weight of 323.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine is sourced from PubChem (CID 91830071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).