1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide

C124H147N21O20S2 — CID 159143004

IUPAC1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide
SMILESCOCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(CCNC(=O)CC(C)C)c2=O)c1.COCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(CCNC(=O)c3ccccc3)c2=O)c1.COCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(CCNS(=O)(=O)c3ccccc3)c2=O)c1.COCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(Cc3csc(N)n3)c2=O)c1
InChIInChI=1S/C33H37N5O5.C32H37N5O6S.C31H41N5O5.C28H32N6O4S/c1-42-22-9-23-43-28-15-8-14-27(24-28)38-29(25-10-4-2-5-11-25)30(32(40)36-19-16-34-17-20-36)37(33(38)41)21-18-35-31(39)26-12-6-3-7-13-26;1-42-22-9-23-43-27-13-8-12-26(24-27)37-29(25-10-4-2-5-11-25)30(31(38)35-19-16-33-17-20-35)36(32(37)39)21-18-34-44(40,41)28-14-6-3-7-15-28;1-23(2)21-27(37)33-15-18-35-29(30(38)34-16-13-32-14-17-34)28(24-9-5-4-6-10-24)36(31(35)39)25-11-7-12-26(22-25)41-20-8-19-40-3;1-37-15-6-16-38-23-10-5-9-22(17-23)34-24(20-7-3-2-4-8-20)25(26(35)32-13-11-30-12-14-32)33(28(34)36)18-21-19-39-27(29)31-21/h2-8,10-15,24,34H,9,16-23H2,1H3,(H,35,39);2-8,10-15,24,33-34H,9,16-23H2,1H3;4-7,9-12,22-23,32H,8,13-21H2,1-3H3,(H,33,37);2-5,7-10,17,19,30H,6,11-16,18H2,1H3,(H2,29,31)
InChIKeyKIICIUFXEHCOKH-UHFFFAOYSA-N
MW2315.80 g/mol
LogP11.72
Rot. Bonds48

About 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide

1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide (PubChem CID 159143004) has the molecular formula C124H147N21O20S2 and a molecular weight of 2315.80 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide
PubChem CID159143004
Molecular FormulaC124H147N21O20S2
Molecular Weight2315.80 g/mol
Exact Mass2314.06
IUPAC Name1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide
SMILESCOCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(CCNC(=O)CC(C)C)c2=O)c1.COCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(CCNC(=O)c3ccccc3)c2=O)c1.COCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(CCNS(=O)(=O)c3ccccc3)c2=O)c1.COCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(Cc3csc(N)n3)c2=O)c1
InChIInChI=1S/C33H37N5O5.C32H37N5O6S.C31H41N5O5.C28H32N6O4S/c1-42-22-9-23-43-28-15-8-14-27(24-28)38-29(25-10-4-2-5-11-25)30(32(40)36-19-16-34-17-20-36)37(33(38)41)21-18-35-31(39)26-12-6-3-7-13-26;1-42-22-9-23-43-27-13-8-12-26(24-27)37-29(25-10-4-2-5-11-25)30(31(38)35-19-16-33-17-20-35)36(32(37)39)21-18-34-44(40,41)28-14-6-3-7-15-28;1-23(2)21-27(37)33-15-18-35-29(30(38)34-16-13-32-14-17-34)28(24-9-5-4-6-10-24)36(31(35)39)25-11-7-12-26(22-25)41-20-8-19-40-3;1-37-15-6-16-38-23-10-5-9-22(17-23)34-24(20-7-3-2-4-8-20)25(26(35)32-13-11-30-12-14-32)33(28(34)36)18-21-19-39-27(29)31-21/h2-8,10-15,24,34H,9,16-23H2,1H3,(H,35,39);2-8,10-15,24,33-34H,9,16-23H2,1H3;4-7,9-12,22-23,32H,8,13-21H2,1-3H3,(H,33,37);2-5,7-10,17,19,30H,6,11-16,18H2,1H3,(H2,29,31)
InChIKeyKIICIUFXEHCOKH-UHFFFAOYSA-N
XLogP11.72
TPSA454.20 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds48
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002315.80
LogP ≤ 511.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide?
The IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide (CID 159143004) is 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide is COCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(CCNC(=O)CC(C)C)c2=O)c1.COCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(CCNC(=O)c3ccccc3)c2=O)c1.COCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(CCNS(=O)(=O)c3ccccc3)c2=O)c1.COCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(Cc3csc(N)n3)c2=O)c1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide?
The InChIKey is KIICIUFXEHCOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O5.C32H37N5O6S.C31H41N5O5.C28H32N6O4S/c1-42-22-9-23-43-28-15-8-14-27(24-28)38-29(25-10-4-2-5-11-25)30(32(40)36-19-16-34-17-20-36)37(33(38)41)21-18-35-31(39)26-12-6-3-7-13-26;1-42-22-9-23-43-27-13-8-12-26(24-27)37-29(25-10-4-2-5-11-25)30(31(38)35-19-16-33-17-20-35)36(32(37)39)21-18-34-44(40,41)28-14-6-3-7-15-28;1-23(2)21-27(37)33-15-18-35-29(30(38)34-16-13-32-14-17-34)28(24-9-5-4-6-10-24)36(31(35)39)25-11-7-12-26(22-25)41-20-8-19-40-3;1-37-15-6-16-38-23-10-5-9-22(17-23)34-24(20-7-3-2-4-8-20)25(26(35)32-13-11-30-12-14-32)33(28(34)36)18-21-19-39-27(29)31-21/h2-8,10-15,24,34H,9,16-23H2,1H3,(H,35,39);2-8,10-15,24,33-34H,9,16-23H2,1H3;4-7,9-12,22-23,32H,8,13-21H2,1-3H3,(H,33,37);2-5,7-10,17,19,30H,6,11-16,18H2,1H3,(H2,29,31).
What are the key properties of 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide?
1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide has a molecular weight of 2315.80 g/mol, XLogP of 11.72, 48 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide is sourced from PubChem (CID 159143004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).