3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol

C115H124N18O10 — CID 160849119

IUPAC3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol
SMILESC=C(N)Cc1c(Cc2cn[nH]c2C)ncn1Cc1cccc(O)c1.CC(=O)CCc1c(-c2ccccc2)ncn1Cc1cccc(O)c1.CC(=O)CCc1c(Cc2ccccc2)ncn1Cc1cccc(O)c1.CC(C)Cc1c(Cc2ccccc2)ncn1Cc1cccc(O)c1.Cc1[nH]ncc1-c1ncn(Cc2cccc(O)c2)c1CC(C)O.NC(=O)Cc1c(-c2ccccc2)ncn1Cc1cccc(O)c1
InChIInChI=1S/C21H22N2O2.C21H24N2O.C20H20N2O2.C18H21N5O.C18H17N3O2.C17H20N4O2/c1-16(24)10-11-21-20(13-17-6-3-2-4-7-17)22-15-23(21)14-18-8-5-9-19(25)12-18;1-16(2)11-21-20(13-17-7-4-3-5-8-17)22-15-23(21)14-18-9-6-10-19(24)12-18;1-15(23)10-11-19-20(17-7-3-2-4-8-17)21-14-22(19)13-16-6-5-9-18(24)12-16;1-12(19)6-18-17(8-15-9-21-22-13(15)2)20-11-23(18)10-14-4-3-5-16(24)7-14;19-17(23)10-16-18(14-6-2-1-3-7-14)20-12-21(16)11-13-5-4-8-15(22)9-13;1-11(22)6-16-17(15-8-19-20-12(15)2)18-10-21(16)9-13-4-3-5-14(23)7-13/h2-9,12,15,25H,10-11,13-14H2,1H3;3-10,12,15-16,24H,11,13-14H2,1-2H3;2-9,12,14,24H,10-11,13H2,1H3;3-5,7,9,11,24H,1,6,8,10,19H2,2H3,(H,21,22);1-9,12,22H,10-11H2,(H2,19,23);3-5,7-8,10-11,22-23H,6,9H2,1-2H3,(H,19,20)
InChIKeySJAJNBVSLAMNSH-UHFFFAOYSA-N
MW1918.37 g/mol
LogP18.87
Rot. Bonds35

About 3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol

3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol (PubChem CID 160849119) has the molecular formula C115H124N18O10 and a molecular weight of 1918.37 g/mol. Its IUPAC name is 3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol
PubChem CID160849119
Molecular FormulaC115H124N18O10
Molecular Weight1918.37 g/mol
Exact Mass1916.97
IUPAC Name3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol
SMILESC=C(N)Cc1c(Cc2cn[nH]c2C)ncn1Cc1cccc(O)c1.CC(=O)CCc1c(-c2ccccc2)ncn1Cc1cccc(O)c1.CC(=O)CCc1c(Cc2ccccc2)ncn1Cc1cccc(O)c1.CC(C)Cc1c(Cc2ccccc2)ncn1Cc1cccc(O)c1.Cc1[nH]ncc1-c1ncn(Cc2cccc(O)c2)c1CC(C)O.NC(=O)Cc1c(-c2ccccc2)ncn1Cc1cccc(O)c1
InChIInChI=1S/C21H22N2O2.C21H24N2O.C20H20N2O2.C18H21N5O.C18H17N3O2.C17H20N4O2/c1-16(24)10-11-21-20(13-17-6-3-2-4-7-17)22-15-23(21)14-18-8-5-9-19(25)12-18;1-16(2)11-21-20(13-17-7-4-3-5-8-17)22-15-23(21)14-18-9-6-10-19(24)12-18;1-15(23)10-11-19-20(17-7-3-2-4-8-17)21-14-22(19)13-16-6-5-9-18(24)12-16;1-12(19)6-18-17(8-15-9-21-22-13(15)2)20-11-23(18)10-14-4-3-5-16(24)7-14;19-17(23)10-16-18(14-6-2-1-3-7-14)20-12-21(16)11-13-5-4-8-15(22)9-13;1-11(22)6-16-17(15-8-19-20-12(15)2)18-10-21(16)9-13-4-3-5-14(23)7-13/h2-9,12,15,25H,10-11,13-14H2,1H3;3-10,12,15-16,24H,11,13-14H2,1-2H3;2-9,12,14,24H,10-11,13H2,1H3;3-5,7,9,11,24H,1,6,8,10,19H2,2H3,(H,21,22);1-9,12,22H,10-11H2,(H2,19,23);3-5,7-8,10-11,22-23H,6,9H2,1-2H3,(H,19,20)
InChIKeySJAJNBVSLAMNSH-UHFFFAOYSA-N
XLogP18.87
TPSA409.14 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.37
LogP ≤ 518.87
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol (CID 160849119) is 3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol is C=C(N)Cc1c(Cc2cn[nH]c2C)ncn1Cc1cccc(O)c1.CC(=O)CCc1c(-c2ccccc2)ncn1Cc1cccc(O)c1.CC(=O)CCc1c(Cc2ccccc2)ncn1Cc1cccc(O)c1.CC(C)Cc1c(Cc2ccccc2)ncn1Cc1cccc(O)c1.Cc1[nH]ncc1-c1ncn(Cc2cccc(O)c2)c1CC(C)O.NC(=O)Cc1c(-c2ccccc2)ncn1Cc1cccc(O)c1.
What is the InChIKey of 3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol?
The InChIKey is SJAJNBVSLAMNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.C21H24N2O.C20H20N2O2.C18H21N5O.C18H17N3O2.C17H20N4O2/c1-16(24)10-11-21-20(13-17-6-3-2-4-7-17)22-15-23(21)14-18-8-5-9-19(25)12-18;1-16(2)11-21-20(13-17-7-4-3-5-8-17)22-15-23(21)14-18-9-6-10-19(24)12-18;1-15(23)10-11-19-20(17-7-3-2-4-8-17)21-14-22(19)13-16-6-5-9-18(24)12-16;1-12(19)6-18-17(8-15-9-21-22-13(15)2)20-11-23(18)10-14-4-3-5-16(24)7-14;19-17(23)10-16-18(14-6-2-1-3-7-14)20-12-21(16)11-13-5-4-8-15(22)9-13;1-11(22)6-16-17(15-8-19-20-12(15)2)18-10-21(16)9-13-4-3-5-14(23)7-13/h2-9,12,15,25H,10-11,13-14H2,1H3;3-10,12,15-16,24H,11,13-14H2,1-2H3;2-9,12,14,24H,10-11,13H2,1H3;3-5,7,9,11,24H,1,6,8,10,19H2,2H3,(H,21,22);1-9,12,22H,10-11H2,(H2,19,23);3-5,7-8,10-11,22-23H,6,9H2,1-2H3,(H,19,20).
What are the key properties of 3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol?
3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol has a molecular weight of 1918.37 g/mol, XLogP of 18.87, 35 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 160849119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).