2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone

C17H23N5O — CID 120835873

IUPAC2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1nccn1-c1ccccc1
InChIInChI=1S/C17H23N5O/c1-20(14-17(23)21-10-7-18-8-11-21)13-16-19-9-12-22(16)15-5-3-2-4-6-15/h2-6,9,12,18H,7-8,10-11,13-14H2,1H3
InChIKeyIWGGXPWMXNOAMK-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.74
Rot. Bonds5

About 2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone

2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone (PubChem CID 120835873) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone
PubChem CID120835873
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1nccn1-c1ccccc1
InChIInChI=1S/C17H23N5O/c1-20(14-17(23)21-10-7-18-8-11-21)13-16-19-9-12-22(16)15-5-3-2-4-6-15/h2-6,9,12,18H,7-8,10-11,13-14H2,1H3
InChIKeyIWGGXPWMXNOAMK-UHFFFAOYSA-N
XLogP0.74
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915287
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915111
2-[(2-chloro-4-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62470919
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-phenylacetamide
CID 119915329
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915183
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 114321058
2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61017902
2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone
CID 61031966

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone (CID 120835873) is 2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)Cc1nccn1-c1ccccc1.
What is the InChIKey of 2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone?
The InChIKey is IWGGXPWMXNOAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20(14-17(23)21-10-7-18-8-11-21)13-16-19-9-12-22(16)15-5-3-2-4-6-15/h2-6,9,12,18H,7-8,10-11,13-14H2,1H3.
What are the key properties of 2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone?
2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone has a molecular weight of 313.40 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 120835873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).