1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one

C17H25ClN4O2 — CID 167857503

IUPAC1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one
SMILESCOc1cc(CN2CCN(CCN3CCNC3=O)CC2)ccc1Cl
InChIInChI=1S/C17H25ClN4O2/c1-24-16-12-14(2-3-15(16)18)13-21-8-6-20(7-9-21)10-11-22-5-4-19-17(22)23/h2-3,12H,4-11,13H2,1H3,(H,19,23)
InChIKeyNVLKOMRKVNNMNQ-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.49
Rot. Bonds6

About 1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 167857503) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one
PubChem CID167857503
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one
SMILESCOc1cc(CN2CCN(CCN3CCNC3=O)CC2)ccc1Cl
InChIInChI=1S/C17H25ClN4O2/c1-24-16-12-14(2-3-15(16)18)13-21-8-6-20(7-9-21)10-11-22-5-4-19-17(22)23/h2-3,12H,4-11,13H2,1H3,(H,19,23)
InChIKeyNVLKOMRKVNNMNQ-UHFFFAOYSA-N
XLogP1.49
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one (CID 167857503) is 1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one is COc1cc(CN2CCN(CCN3CCNC3=O)CC2)ccc1Cl.
What is the InChIKey of 1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is NVLKOMRKVNNMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-24-16-12-14(2-3-15(16)18)13-21-8-6-20(7-9-21)10-11-22-5-4-19-17(22)23/h2-3,12H,4-11,13H2,1H3,(H,19,23).
What are the key properties of 1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 352.87 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 167857503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).