(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

C105H100FN13O14S — CID 159107777

IUPAC(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCCc1ccc(OCCCC(=O)c2ccccc2CCc2ccc(F)cc2)cc1.COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccccc1.COc1ccc(OCC(=O)Nc2ccc(C3=Nc4ccccc4C(=O)C3)cc2)cc1.Cc1ccc(NCC(=O)OCc2cnc(Nc3ccccc3)[nH]2)cc1.O=C(Nc1nccs1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C26H27FO2.C24H20N2O4.C23H24N4O4.C19H20N4O2.C13H9N3O2S/c1-2-20-12-17-24(18-13-20)29-19-5-8-26(28)25-7-4-3-6-22(25)14-9-21-10-15-23(27)16-11-21;1-29-18-10-12-19(13-11-18)30-15-24(28)25-17-8-6-16(7-9-17)22-14-23(27)20-4-2-3-5-21(20)26-22;1-13-19(22(28)26-24-13)21(20-14(2)25-27-23(20)29)16-9-10-17(18(11-16)30-3)31-12-15-7-5-4-6-8-15;1-14-7-9-15(10-8-14)20-12-18(24)25-13-17-11-21-19(23-17)22-16-5-3-2-4-6-16;17-11(12(18)16-13-14-5-6-19-13)9-7-15-10-4-2-1-3-8(9)10/h3-4,6-7,10-13,15-18H,2,5,8-9,14,19H2,1H3;2-13H,14-15H2,1H3,(H,25,28);4-11,21H,12H2,1-3H3,(H2,24,26,28)(H2,25,27,29);2-11,20H,12-13H2,1H3,(H2,21,22,23);1-7,15H,(H,14,16,18)
InChIKeyKECKYLZNGZTPRM-UHFFFAOYSA-N
MW1819.10 g/mol
LogP19.80
Rot. Bonds33

About (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 159107777) has the molecular formula C105H100FN13O14S and a molecular weight of 1819.10 g/mol. Its IUPAC name is (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID159107777
Molecular FormulaC105H100FN13O14S
Molecular Weight1819.10 g/mol
Exact Mass1817.72
IUPAC Name(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCCc1ccc(OCCCC(=O)c2ccccc2CCc2ccc(F)cc2)cc1.COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccccc1.COc1ccc(OCC(=O)Nc2ccc(C3=Nc4ccccc4C(=O)C3)cc2)cc1.Cc1ccc(NCC(=O)OCc2cnc(Nc3ccccc3)[nH]2)cc1.O=C(Nc1nccs1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C26H27FO2.C24H20N2O4.C23H24N4O4.C19H20N4O2.C13H9N3O2S/c1-2-20-12-17-24(18-13-20)29-19-5-8-26(28)25-7-4-3-6-22(25)14-9-21-10-15-23(27)16-11-21;1-29-18-10-12-19(13-11-18)30-15-24(28)25-17-8-6-16(7-9-17)22-14-23(27)20-4-2-3-5-21(20)26-22;1-13-19(22(28)26-24-13)21(20-14(2)25-27-23(20)29)16-9-10-17(18(11-16)30-3)31-12-15-7-5-4-6-8-15;1-14-7-9-15(10-8-14)20-12-18(24)25-13-17-11-21-19(23-17)22-16-5-3-2-4-6-16;17-11(12(18)16-13-14-5-6-19-13)9-7-15-10-4-2-1-3-8(9)10/h3-4,6-7,10-13,15-18H,2,5,8-9,14,19H2,1H3;2-13H,14-15H2,1H3,(H,25,28);4-11,21H,12H2,1-3H3,(H2,24,26,28)(H2,25,27,29);2-11,20H,12-13H2,1H3,(H2,21,22,23);1-7,15H,(H,14,16,18)
InChIKeyKECKYLZNGZTPRM-UHFFFAOYSA-N
XLogP19.80
TPSA372.94 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds33
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001819.10
LogP ≤ 519.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one with MolForge

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Related Compounds

(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 157210410
(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide
CID 158548116
N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 158549785
(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate
CID 161167786
N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate
CID 161702105

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one (CID 159107777) is (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one is CCc1ccc(OCCCC(=O)c2ccccc2CCc2ccc(F)cc2)cc1.COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccccc1.COc1ccc(OCC(=O)Nc2ccc(C3=Nc4ccccc4C(=O)C3)cc2)cc1.Cc1ccc(NCC(=O)OCc2cnc(Nc3ccccc3)[nH]2)cc1.O=C(Nc1nccs1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is KECKYLZNGZTPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FO2.C24H20N2O4.C23H24N4O4.C19H20N4O2.C13H9N3O2S/c1-2-20-12-17-24(18-13-20)29-19-5-8-26(28)25-7-4-3-6-22(25)14-9-21-10-15-23(27)16-11-21;1-29-18-10-12-19(13-11-18)30-15-24(28)25-17-8-6-16(7-9-17)22-14-23(27)20-4-2-3-5-21(20)26-22;1-13-19(22(28)26-24-13)21(20-14(2)25-27-23(20)29)16-9-10-17(18(11-16)30-3)31-12-15-7-5-4-6-8-15;1-14-7-9-15(10-8-14)20-12-18(24)25-13-17-11-21-19(23-17)22-16-5-3-2-4-6-16;17-11(12(18)16-13-14-5-6-19-13)9-7-15-10-4-2-1-3-8(9)10/h3-4,6-7,10-13,15-18H,2,5,8-9,14,19H2,1H3;2-13H,14-15H2,1H3,(H,25,28);4-11,21H,12H2,1-3H3,(H2,24,26,28)(H2,25,27,29);2-11,20H,12-13H2,1H3,(H2,21,22,23);1-7,15H,(H,14,16,18).
What are the key properties of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?
(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 1819.10 g/mol, XLogP of 19.80, 33 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 159107777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).