1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one

C23H29ClN4O — CID 19102614

IUPAC1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one
SMILESCc1cccc(N2CCN(CCCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1
InChIInChI=1S/C23H29ClN4O/c1-19-5-2-7-21(17-19)26-13-11-25(12-14-26)9-4-10-27-15-16-28(23(27)29)22-8-3-6-20(24)18-22/h2-3,5-8,17-18H,4,9-16H2,1H3
InChIKeyHAMPGGPYQQXLNB-UHFFFAOYSA-N
MW412.97 g/mol
LogP4.10
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one

1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one (PubChem CID 19102614) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one
PubChem CID19102614
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC Name1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one
SMILESCc1cccc(N2CCN(CCCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1
InChIInChI=1S/C23H29ClN4O/c1-19-5-2-7-21(17-19)26-13-11-25(12-14-26)9-4-10-27-15-16-28(23(27)29)22-8-3-6-20(24)18-22/h2-3,5-8,17-18H,4,9-16H2,1H3
InChIKeyHAMPGGPYQQXLNB-UHFFFAOYSA-N
XLogP4.10
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidin-2-one;hydrochloride
CID 19102619
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-methylphthalazin-1-one
CID 110183574
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6-methyl-1,4-benzoxazin-3-one
CID 10739734
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34249962
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one (CID 19102614) is 1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one is Cc1cccc(N2CCN(CCCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one?
The InChIKey is HAMPGGPYQQXLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O/c1-19-5-2-7-21(17-19)26-13-11-25(12-14-26)9-4-10-27-15-16-28(23(27)29)22-8-3-6-20(24)18-22/h2-3,5-8,17-18H,4,9-16H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one has a molecular weight of 412.97 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]imidazolidin-2-one is sourced from PubChem (CID 19102614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).