4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde

C23H26ClN3O2 — CID 174584773

IUPAC4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde
SMILESNCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccc(C=O)cc3)C2=O)CC1
InChIInChI=1S/C23H26ClN3O2/c24-19-3-1-2-18(14-19)23(16-25)10-8-21(9-11-23)27-13-12-26(22(27)29)20-6-4-17(15-28)5-7-20/h1-7,14-15,21H,8-13,16,25H2
InChIKeyPTPULKONHULWKS-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.23
Rot. Bonds5

About 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde

4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde (PubChem CID 174584773) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde.

Molecular Properties

Compound Name4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde
PubChem CID174584773
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde
SMILESNCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccc(C=O)cc3)C2=O)CC1
InChIInChI=1S/C23H26ClN3O2/c24-19-3-1-2-18(14-19)23(16-25)10-8-21(9-11-23)27-13-12-26(22(27)29)20-6-4-17(15-28)5-7-20/h1-7,14-15,21H,8-13,16,25H2
InChIKeyPTPULKONHULWKS-UHFFFAOYSA-N
XLogP4.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride
CID 71184532
5-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]thiophene-2-carboxylic acid;hydrochloride
CID 71184627
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-one
CID 70295374
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one
CID 71184611
methyl 5-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]thiophene-2-carboxylate
CID 71184587
methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride
CID 71184657
(8aR)-2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 70297118
4-[(4S)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-2-oxoimidazolidin-1-yl]benzoic acid;hydrochloride
CID 71184314
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1,4-dihydroisoquinolin-3-one
CID 70297048
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-benzylpiperazine-2,5-dione
CID 71184394
7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one
CID 70296560
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde?
The IUPAC name of 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde (CID 174584773) is 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde.
What is the SMILES notation for 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde?
The canonical SMILES for 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde is NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccc(C=O)cc3)C2=O)CC1.
What is the InChIKey of 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde?
The InChIKey is PTPULKONHULWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-19-3-1-2-18(14-19)23(16-25)10-8-21(9-11-23)27-13-12-26(22(27)29)20-6-4-17(15-28)5-7-20/h1-7,14-15,21H,8-13,16,25H2.
What are the key properties of 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde?
4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde has a molecular weight of 411.93 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde is sourced from PubChem (CID 174584773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).