1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one

C20H30ClN3O — CID 71184611

IUPAC1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one
SMILESCCCCN1CCN(C2CCC(CN)(c3cccc(Cl)c3)CC2)C1=O
InChIInChI=1S/C20H30ClN3O/c1-2-3-11-23-12-13-24(19(23)25)18-7-9-20(15-22,10-8-18)16-5-4-6-17(21)14-16/h4-6,14,18H,2-3,7-13,15,22H2,1H3
InChIKeyFRBVXKCDYNZDGR-UHFFFAOYSA-N
MW363.93 g/mol
LogP4.02
Rot. Bonds6

About 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one

1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one (PubChem CID 71184611) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one
PubChem CID71184611
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC Name1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one
SMILESCCCCN1CCN(C2CCC(CN)(c3cccc(Cl)c3)CC2)C1=O
InChIInChI=1S/C20H30ClN3O/c1-2-3-11-23-12-13-24(19(23)25)18-7-9-20(15-22,10-8-18)16-5-4-6-17(21)14-16/h4-6,14,18H,2-3,7-13,15,22H2,1H3
InChIKeyFRBVXKCDYNZDGR-UHFFFAOYSA-N
XLogP4.02
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde
CID 174584773
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1,4-dihydroisoquinolin-3-one
CID 70297048
5-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]thiophene-2-carboxylic acid;hydrochloride
CID 71184627
4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride
CID 71184532
methyl 5-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]thiophene-2-carboxylate
CID 71184587
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-one
CID 70295374
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-benzylimidazolidin-2-one;(4R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-benzyl-1,3-oxazolidin-2-one;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-[4-(cyclopentylmethoxy)phenyl]imidazolidin-2-one;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-methylimidazolidin-2-one;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-phenylimidazolidin-2-one
CID 161204244
(8aR)-2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 70297118
3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71184368
methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride
CID 71184657
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one?
The IUPAC name of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one (CID 71184611) is 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one?
The canonical SMILES for 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one is CCCCN1CCN(C2CCC(CN)(c3cccc(Cl)c3)CC2)C1=O.
What is the InChIKey of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one?
The InChIKey is FRBVXKCDYNZDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O/c1-2-3-11-23-12-13-24(19(23)25)18-7-9-20(15-22,10-8-18)16-5-4-6-17(21)14-16/h4-6,14,18H,2-3,7-13,15,22H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one?
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one has a molecular weight of 363.93 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one is sourced from PubChem (CID 71184611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).