1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one

C18H27ClN4O — CID 45268148

IUPAC1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1
InChIInChI=1S/C18H27ClN4O/c1-15(2)21-9-6-20(7-10-21)8-11-22-12-13-23(18(22)24)17-5-3-4-16(19)14-17/h3-5,14-15H,6-13H2,1-2H3
InChIKeyBGKKQDRMVVBUET-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.61
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one

1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one (PubChem CID 45268148) has the molecular formula C18H27ClN4O and a molecular weight of 350.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one
PubChem CID45268148
Molecular FormulaC18H27ClN4O
Molecular Weight350.89 g/mol
Exact Mass350.19
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1
InChIInChI=1S/C18H27ClN4O/c1-15(2)21-9-6-20(7-10-21)8-11-22-12-13-23(18(22)24)17-5-3-4-16(19)14-17/h3-5,14-15H,6-13H2,1-2H3
InChIKeyBGKKQDRMVVBUET-UHFFFAOYSA-N
XLogP2.61
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 567779
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3,5-dichloro-phenyl)-imidazolidin-2-one
CID 10807044
1-(3,5-Dichlorophenyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
CID 25263864
N-(4-chlorophenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 4189678
4-(4-chlorophenyl)-N-cyclohexylpiperazine-1-carboxamide
CID 4416918

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one (CID 45268148) is 1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one is CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is BGKKQDRMVVBUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O/c1-15(2)21-9-6-20(7-10-21)8-11-22-12-13-23(18(22)24)17-5-3-4-16(19)14-17/h3-5,14-15H,6-13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 350.89 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 45268148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).