methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate

C17H22N4O2 — CID 78900342

IUPACmethyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C17H22N4O2/c1-23-17(22)20-11-9-19(10-12-20)14-16-18-7-8-21(16)13-15-5-3-2-4-6-15/h2-8H,9-14H2,1H3
InChIKeyAVYGYYFWYAJJJI-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.82
Rot. Bonds4

About methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate

methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate (PubChem CID 78900342) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
PubChem CID78900342
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Namemethyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C17H22N4O2/c1-23-17(22)20-11-9-19(10-12-20)14-16-18-7-8-21(16)13-15-5-3-2-4-6-15/h2-8H,9-14H2,1H3
InChIKeyAVYGYYFWYAJJJI-UHFFFAOYSA-N
XLogP1.82
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethenyl 4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxylate
CID 3454989
1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
CID 110887635
(2R)-1-[4-[(1-benzylimidazol-2-yl)methyl]piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 122591289
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 91830071
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134027600
[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
CID 3861578
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 86285845
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carboxamide
CID 122569694
(3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol
CID 72869391
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate (CID 78900342) is methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate is COC(=O)N1CCN(Cc2nccn2Cc2ccccc2)CC1.
What is the InChIKey of methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate?
The InChIKey is AVYGYYFWYAJJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-17(22)20-11-9-19(10-12-20)14-16-18-7-8-21(16)13-15-5-3-2-4-6-15/h2-8H,9-14H2,1H3.
What are the key properties of methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate?
methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 78900342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).