4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride

C23H28Cl2N4O2 — CID 71184532

IUPAC4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride
SMILESCl.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccc(C(N)=O)cc3)C2=O)CC1
InChIInChI=1S/C23H27ClN4O2.ClH/c24-18-3-1-2-17(14-18)23(15-25)10-8-20(9-11-23)28-13-12-27(22(28)30)19-6-4-16(5-7-19)21(26)29;/h1-7,14,20H,8-13,15,25H2,(H2,26,29);1H
InChIKeyCYNRXRHWTZJKMI-UHFFFAOYSA-N
MW463.41 g/mol
LogP3.94
Rot. Bonds5

About 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride

4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride (PubChem CID 71184532) has the molecular formula C23H28Cl2N4O2 and a molecular weight of 463.41 g/mol. Its IUPAC name is 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride
PubChem CID71184532
Molecular FormulaC23H28Cl2N4O2
Molecular Weight463.41 g/mol
Exact Mass462.16
IUPAC Name4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride
SMILESCl.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccc(C(N)=O)cc3)C2=O)CC1
InChIInChI=1S/C23H27ClN4O2.ClH/c24-18-3-1-2-17(14-18)23(15-25)10-8-20(9-11-23)28-13-12-27(22(28)30)19-6-4-16(5-7-19)21(26)29;/h1-7,14,20H,8-13,15,25H2,(H2,26,29);1H
InChIKeyCYNRXRHWTZJKMI-UHFFFAOYSA-N
XLogP3.94
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzaldehyde
CID 174584773
5-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]thiophene-2-carboxylic acid;hydrochloride
CID 71184627
methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride
CID 71184657
4-[(4S)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-2-oxoimidazolidin-1-yl]benzoic acid;hydrochloride
CID 71184314
methyl 5-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]thiophene-2-carboxylate
CID 71184587
4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylic acid;4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxylic acid;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-phenyl-1,3-diazinan-2-one;methyl 2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzoate;methyl 2-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate
CID 162203329
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-butylimidazolidin-2-one
CID 71184611
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]benzimidazole-5-carboxamide;hydrochloride
CID 140604358
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-one
CID 70295374
3-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxo-1,3-diazinan-1-yl]benzoic acid;4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]-2-methylbenzoic acid;6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylic acid;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-[3-(2H-tetrazol-5-yl)phenyl]imidazolidin-2-one;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-[4-(2H-tetrazol-5-yl)phenyl]imidazolidin-2-one
CID 158199075
(8aR)-2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 70297118
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-benzylpiperazine-2,5-dione
CID 71184394

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride?
The IUPAC name of 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride (CID 71184532) is 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride?
The canonical SMILES for 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride is Cl.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccc(C(N)=O)cc3)C2=O)CC1.
What is the InChIKey of 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride?
The InChIKey is CYNRXRHWTZJKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2.ClH/c24-18-3-1-2-17(14-18)23(15-25)10-8-20(9-11-23)28-13-12-27(22(28)30)19-6-4-16(5-7-19)21(26)29;/h1-7,14,20H,8-13,15,25H2,(H2,26,29);1H.
What are the key properties of 4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride?
4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride has a molecular weight of 463.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 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]benzamide;hydrochloride is sourced from PubChem (CID 71184532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).