1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide

C118H141N19O15S2 — CID 161269852

IUPAC1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
SMILESCOCCOc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(-c3ccccc3C)c2=O)c1.Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNC(=O)CC(C)C)c1=O.Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNS(=O)(=O)CC(C)C)c1=O.Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNS(=O)(=O)c2ccccc2)c1=O
InChIInChI=1S/C31H34N4O4.C30H33N5O4S.C29H37N5O3.C28H37N5O4S/c1-23-9-6-7-14-27(23)35-28(25-11-4-3-5-12-25)29(30(36)33-17-15-32-16-18-33)34(31(35)37)22-24-10-8-13-26(21-24)39-20-19-38-2;1-23-11-8-9-16-26(23)35-27(24-12-4-2-5-13-24)28(29(36)33-21-18-31-19-22-33)34(30(35)37)20-10-17-32-40(38,39)25-14-6-3-7-15-25;1-21(2)20-25(35)31-14-9-17-33-27(28(36)32-18-15-30-16-19-32)26(23-11-5-4-6-12-23)34(29(33)37)24-13-8-7-10-22(24)3;1-21(2)20-38(36,37)30-14-9-17-32-26(27(34)31-18-15-29-16-19-31)25(23-11-5-4-6-12-23)33(28(32)35)24-13-8-7-10-22(24)3/h3-14,21,32H,15-20,22H2,1-2H3;2-9,11-16,31-32H,10,17-22H2,1H3;4-8,10-13,21,30H,9,14-20H2,1-3H3,(H,31,35);4-8,10-13,21,29-30H,9,14-20H2,1-3H3
InChIKeyVDQYUFIBGXBNIV-UHFFFAOYSA-N
MW2129.68 g/mol
LogP12.60
Rot. Bonds37

About 1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide

1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide (PubChem CID 161269852) has the molecular formula C118H141N19O15S2 and a molecular weight of 2129.68 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
PubChem CID161269852
Molecular FormulaC118H141N19O15S2
Molecular Weight2129.68 g/mol
Exact Mass2128.03
IUPAC Name1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
SMILESCOCCOc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(-c3ccccc3C)c2=O)c1.Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNC(=O)CC(C)C)c1=O.Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNS(=O)(=O)CC(C)C)c1=O.Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNS(=O)(=O)c2ccccc2)c1=O
InChIInChI=1S/C31H34N4O4.C30H33N5O4S.C29H37N5O3.C28H37N5O4S/c1-23-9-6-7-14-27(23)35-28(25-11-4-3-5-12-25)29(30(36)33-17-15-32-16-18-33)34(31(35)37)22-24-10-8-13-26(21-24)39-20-19-38-2;1-23-11-8-9-16-26(23)35-27(24-12-4-2-5-13-24)28(29(36)33-21-18-31-19-22-33)34(30(35)37)20-10-17-32-40(38,39)25-14-6-3-7-15-25;1-21(2)20-25(35)31-14-9-17-33-27(28(36)32-18-15-30-16-19-32)26(23-11-5-4-6-12-23)34(29(33)37)24-13-8-7-10-22(24)3;1-21(2)20-38(36,37)30-14-9-17-32-26(27(34)31-18-15-29-16-19-31)25(23-11-5-4-6-12-23)33(28(32)35)24-13-8-7-10-22(24)3/h3-14,21,32H,15-20,22H2,1-2H3;2-9,11-16,31-32H,10,17-22H2,1H3;4-8,10-13,21,30H,9,14-20H2,1-3H3,(H,31,35);4-8,10-13,21,29-30H,9,14-20H2,1-3H3
InChIKeyVDQYUFIBGXBNIV-UHFFFAOYSA-N
XLogP12.60
TPSA376.98 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002129.68
LogP ≤ 512.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide with MolForge

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Related Compounds

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
1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292507
phenyl N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]carbamate
CID 59292380
2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide
CID 59292687
1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292750
4-methoxy-N-[3-[3-(3-morpholin-4-ylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
CID 59292715
1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292634
2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide
CID 143725310
tert-butyl 4-[3-(3-aminopropyl)-1-(2-methylphenyl)-2-oxo-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylate;tert-butyl 4-[1-(2-methylphenyl)-2-oxo-3-[3-(phenoxycarbonylamino)propyl]-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylate;methane;phenyl N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]carbamate
CID 161328978
N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide
CID 59292614
N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[1-(benzenesulfonyl)piperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide
CID 158321550
1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea
CID 59292591

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide (CID 161269852) is 1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide is COCCOc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(-c3ccccc3C)c2=O)c1.Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNC(=O)CC(C)C)c1=O.Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNS(=O)(=O)CC(C)C)c1=O.Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNS(=O)(=O)c2ccccc2)c1=O.
What is the InChIKey of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide?
The InChIKey is VDQYUFIBGXBNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O4.C30H33N5O4S.C29H37N5O3.C28H37N5O4S/c1-23-9-6-7-14-27(23)35-28(25-11-4-3-5-12-25)29(30(36)33-17-15-32-16-18-33)34(31(35)37)22-24-10-8-13-26(21-24)39-20-19-38-2;1-23-11-8-9-16-26(23)35-27(24-12-4-2-5-13-24)28(29(36)33-21-18-31-19-22-33)34(30(35)37)20-10-17-32-40(38,39)25-14-6-3-7-15-25;1-21(2)20-25(35)31-14-9-17-33-27(28(36)32-18-15-30-16-19-32)26(23-11-5-4-6-12-23)34(29(33)37)24-13-8-7-10-22(24)3;1-21(2)20-38(36,37)30-14-9-17-32-26(27(34)31-18-15-29-16-19-31)25(23-11-5-4-6-12-23)33(28(32)35)24-13-8-7-10-22(24)3/h3-14,21,32H,15-20,22H2,1-2H3;2-9,11-16,31-32H,10,17-22H2,1H3;4-8,10-13,21,30H,9,14-20H2,1-3H3,(H,31,35);4-8,10-13,21,29-30H,9,14-20H2,1-3H3.
What are the key properties of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide?
1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide has a molecular weight of 2129.68 g/mol, XLogP of 12.60, 37 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 161269852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).