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

C133H171Cl6N17O8 — CID 161204244

IUPAC1-[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
SMILESCCCCN1CCN(C2CCC(CN)(c3cccc(Cl)c3)CC2)C1=O.CN1CCN(C2CCC(CN)(c3cccc(Cl)c3)CC2)C1=O.NCC1(c2cccc(Cl)c2)CCC(N2C(=O)OC[C@H]2Cc2ccccc2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCN(Cc3ccccc3)C2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccc(OCC4CCCC4)cc3)C2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C28H36ClN3O2.C23H28ClN3O.C23H27ClN2O2.C22H26ClN3O.C20H30ClN3O.C17H24ClN3O/c29-23-7-3-6-22(18-23)28(20-30)14-12-25(13-15-28)32-17-16-31(27(32)33)24-8-10-26(11-9-24)34-19-21-4-1-2-5-21;24-20-8-4-7-19(15-20)23(17-25)11-9-21(10-12-23)27-14-13-26(22(27)28)16-18-5-2-1-3-6-18;24-19-8-4-7-18(14-19)23(16-25)11-9-20(10-12-23)26-21(15-28-22(26)27)13-17-5-2-1-3-6-17;23-18-6-4-5-17(15-18)22(16-24)11-9-20(10-12-22)26-14-13-25(21(26)27)19-7-2-1-3-8-19;1-2-3-11-23-12-13-24(19(23)25)18-7-9-20(15-22,10-8-18)16-5-4-6-17(21)14-16;1-20-9-10-21(16(20)22)15-5-7-17(12-19,8-6-15)13-3-2-4-14(18)11-13/h3,6-11,18,21,25H,1-2,4-5,12-17,19-20,30H2;1-8,15,21H,9-14,16-17,25H2;1-8,14,20-21H,9-13,15-16,25H2;1-8,15,20H,9-14,16,24H2;4-6,14,18H,2-3,7-13,15,22H2,1H3;2-4,11,15H,5-10,12,19H2,1H3/t;;20?,21-,23?;;;/m..1.../s1
InChIKeyUVJRVQYUYMLJRQ-AJKYAADPSA-N
MW2348.66 g/mol
LogP26.23
Rot. Bonds30

About 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

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 (PubChem CID 161204244) has the molecular formula C133H171Cl6N17O8 and a molecular weight of 2348.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID161204244
Molecular FormulaC133H171Cl6N17O8
Molecular Weight2348.66 g/mol
Exact Mass2344.16
IUPAC Name1-[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
SMILESCCCCN1CCN(C2CCC(CN)(c3cccc(Cl)c3)CC2)C1=O.CN1CCN(C2CCC(CN)(c3cccc(Cl)c3)CC2)C1=O.NCC1(c2cccc(Cl)c2)CCC(N2C(=O)OC[C@H]2Cc2ccccc2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCN(Cc3ccccc3)C2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccc(OCC4CCCC4)cc3)C2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C28H36ClN3O2.C23H28ClN3O.C23H27ClN2O2.C22H26ClN3O.C20H30ClN3O.C17H24ClN3O/c29-23-7-3-6-22(18-23)28(20-30)14-12-25(13-15-28)32-17-16-31(27(32)33)24-8-10-26(11-9-24)34-19-21-4-1-2-5-21;24-20-8-4-7-19(15-20)23(17-25)11-9-21(10-12-23)27-14-13-26(22(27)28)16-18-5-2-1-3-6-18;24-19-8-4-7-18(14-19)23(16-25)11-9-20(10-12-23)26-21(15-28-22(26)27)13-17-5-2-1-3-6-17;23-18-6-4-5-17(15-18)22(16-24)11-9-20(10-12-22)26-14-13-25(21(26)27)19-7-2-1-3-8-19;1-2-3-11-23-12-13-24(19(23)25)18-7-9-20(15-22,10-8-18)16-5-4-6-17(21)14-16;1-20-9-10-21(16(20)22)15-5-7-17(12-19,8-6-15)13-3-2-4-14(18)11-13/h3,6-11,18,21,25H,1-2,4-5,12-17,19-20,30H2;1-8,15,21H,9-14,16-17,25H2;1-8,14,20-21H,9-13,15-16,25H2;1-8,15,20H,9-14,16,24H2;4-6,14,18H,2-3,7-13,15,22H2,1H3;2-4,11,15H,5-10,12,19H2,1H3/t;;20?,21-,23?;;;/m..1.../s1
InChIKeyUVJRVQYUYMLJRQ-AJKYAADPSA-N
XLogP26.23
TPSA312.64 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002348.66
LogP ≤ 526.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCN1CCN(C2CCC(CN)(c3cccc(Cl)c3)CC2)C1=O.CN1CCN(C2CCC(CN)(c3cccc(Cl)c3)CC2)C1=O.NCC1(c2cccc(Cl)c2)CCC(N2C(=O)OC[C@H]2Cc2ccccc2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCN(Cc3ccccc3)C2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccc(OCC4CCCC4)cc3)C2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 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?
The InChIKey is UVJRVQYUYMLJRQ-AJKYAADPSA-N. The full InChI is InChI=1S/C28H36ClN3O2.C23H28ClN3O.C23H27ClN2O2.C22H26ClN3O.C20H30ClN3O.C17H24ClN3O/c29-23-7-3-6-22(18-23)28(20-30)14-12-25(13-15-28)32-17-16-31(27(32)33)24-8-10-26(11-9-24)34-19-21-4-1-2-5-21;24-20-8-4-7-19(15-20)23(17-25)11-9-21(10-12-23)27-14-13-26(22(27)28)16-18-5-2-1-3-6-18;24-19-8-4-7-18(14-19)23(16-25)11-9-20(10-12-23)26-21(15-28-22(26)27)13-17-5-2-1-3-6-17;23-18-6-4-5-17(15-18)22(16-24)11-9-20(10-12-22)26-14-13-25(21(26)27)19-7-2-1-3-8-19;1-2-3-11-23-12-13-24(19(23)25)18-7-9-20(15-22,10-8-18)16-5-4-6-17(21)14-16;1-20-9-10-21(16(20)22)15-5-7-17(12-19,8-6-15)13-3-2-4-14(18)11-13/h3,6-11,18,21,25H,1-2,4-5,12-17,19-20,30H2;1-8,15,21H,9-14,16-17,25H2;1-8,14,20-21H,9-13,15-16,25H2;1-8,15,20H,9-14,16,24H2;4-6,14,18H,2-3,7-13,15,22H2,1H3;2-4,11,15H,5-10,12,19H2,1H3/t;;20?,21-,23?;;;/m..1.../s1.
What are the key properties of 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?
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 has a molecular weight of 2348.66 g/mol, XLogP of 26.23, 30 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161204244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).