2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone

C132H124Cl5N17O16 — CID 162099540

IUPAC2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1.COc1ccc(C(=O)Cc2cn(CCC3CCCCC3)cn2)cc1OC.NC(=O)c1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1.NC(=O)c1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)c1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccccn1.O=C(Cc1cn(Cc2ccccc2)cn1)c1ccoc1.O=C(O)COc1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)c1
InChIInChI=1S/C21H28N2O3.C20H17ClN2O4.C20H19ClN2O2.2C19H16ClN3O2.C17H14ClN3O.C16H14N2O2/c1-25-20-9-8-17(12-21(20)26-2)19(24)13-18-14-23(15-22-18)11-10-16-6-4-3-5-7-16;21-16-5-1-3-14(7-16)10-23-11-17(22-13-23)9-19(24)15-4-2-6-18(8-15)27-12-20(25)26;1-2-25-19-8-6-16(7-9-19)20(24)11-18-13-23(14-22-18)12-15-4-3-5-17(21)10-15;20-16-6-1-3-13(7-16)10-23-11-17(22-12-23)9-18(24)14-4-2-5-15(8-14)19(21)25;20-16-3-1-2-13(8-16)10-23-11-17(22-12-23)9-18(24)14-4-6-15(7-5-14)19(21)25;18-14-5-3-4-13(8-14)10-21-11-15(20-12-21)9-17(22)16-6-1-2-7-19-16;19-16(14-6-7-20-11-14)8-15-10-18(12-17-15)9-13-4-2-1-3-5-13/h8-9,12,14-16H,3-7,10-11,13H2,1-2H3;1-8,11,13H,9-10,12H2,(H,25,26);3-10,13-14H,2,11-12H2,1H3;2*1-8,11-12H,9-10H2,(H2,21,25);1-8,11-12H,9-10H2;1-7,10-12H,8-9H2
InChIKeyZERRYLODTXLCPN-UHFFFAOYSA-N
MW2381.81 g/mol
LogP24.75
Rot. Bonds45

About 2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone

2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone (PubChem CID 162099540) has the molecular formula C132H124Cl5N17O16 and a molecular weight of 2381.81 g/mol. Its IUPAC name is 2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone
PubChem CID162099540
Molecular FormulaC132H124Cl5N17O16
Molecular Weight2381.81 g/mol
Exact Mass2377.79
IUPAC Name2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1.COc1ccc(C(=O)Cc2cn(CCC3CCCCC3)cn2)cc1OC.NC(=O)c1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1.NC(=O)c1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)c1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccccn1.O=C(Cc1cn(Cc2ccccc2)cn1)c1ccoc1.O=C(O)COc1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)c1
InChIInChI=1S/C21H28N2O3.C20H17ClN2O4.C20H19ClN2O2.2C19H16ClN3O2.C17H14ClN3O.C16H14N2O2/c1-25-20-9-8-17(12-21(20)26-2)19(24)13-18-14-23(15-22-18)11-10-16-6-4-3-5-7-16;21-16-5-1-3-14(7-16)10-23-11-17(22-13-23)9-19(24)15-4-2-6-18(8-15)27-12-20(25)26;1-2-25-19-8-6-16(7-9-19)20(24)11-18-13-23(14-22-18)12-15-4-3-5-17(21)10-15;20-16-6-1-3-13(7-16)10-23-11-17(22-12-23)9-18(24)14-4-2-5-15(8-14)19(21)25;20-16-3-1-2-13(8-16)10-23-11-17(22-12-23)9-18(24)14-4-6-15(7-5-14)19(21)25;18-14-5-3-4-13(8-14)10-21-11-15(20-12-21)9-17(22)16-6-1-2-7-19-16;19-16(14-6-7-20-11-14)8-15-10-18(12-17-15)9-13-4-2-1-3-5-13/h8-9,12,14-16H,3-7,10-11,13H2,1-2H3;1-8,11,13H,9-10,12H2,(H,25,26);3-10,13-14H,2,11-12H2,1H3;2*1-8,11-12H,9-10H2,(H2,21,25);1-8,11-12H,9-10H2;1-7,10-12H,8-9H2
InChIKeyZERRYLODTXLCPN-UHFFFAOYSA-N
XLogP24.75
TPSA430.66 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds45
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002381.81
LogP ≤ 524.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze 2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone with MolForge

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Related Compounds

2-[1-[(3-Chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-methoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;3-[[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]imidazol-1-yl]methyl]benzamide;1-(3,4-dimethoxyphenyl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanone;ethyl 3-[[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]imidazol-1-yl]methyl]benzoate
CID 158074709
2-[1-[(3-Chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-diethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone;2-[1-(cyclohexylmethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-phenylphenyl)methyl]imidazol-4-yl]ethanone;1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone
CID 161085273

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone (CID 162099540) is 2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone is CCOc1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1.COc1ccc(C(=O)Cc2cn(CCC3CCCCC3)cn2)cc1OC.NC(=O)c1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1.NC(=O)c1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)c1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccccn1.O=C(Cc1cn(Cc2ccccc2)cn1)c1ccoc1.O=C(O)COc1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)c1.
What is the InChIKey of 2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is ZERRYLODTXLCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.C20H17ClN2O4.C20H19ClN2O2.2C19H16ClN3O2.C17H14ClN3O.C16H14N2O2/c1-25-20-9-8-17(12-21(20)26-2)19(24)13-18-14-23(15-22-18)11-10-16-6-4-3-5-7-16;21-16-5-1-3-14(7-16)10-23-11-17(22-13-23)9-19(24)15-4-2-6-18(8-15)27-12-20(25)26;1-2-25-19-8-6-16(7-9-19)20(24)11-18-13-23(14-22-18)12-15-4-3-5-17(21)10-15;20-16-6-1-3-13(7-16)10-23-11-17(22-12-23)9-18(24)14-4-2-5-15(8-14)19(21)25;20-16-3-1-2-13(8-16)10-23-11-17(22-12-23)9-18(24)14-4-6-15(7-5-14)19(21)25;18-14-5-3-4-13(8-14)10-21-11-15(20-12-21)9-17(22)16-6-1-2-7-19-16;19-16(14-6-7-20-11-14)8-15-10-18(12-17-15)9-13-4-2-1-3-5-13/h8-9,12,14-16H,3-7,10-11,13H2,1-2H3;1-8,11,13H,9-10,12H2,(H,25,26);3-10,13-14H,2,11-12H2,1H3;2*1-8,11-12H,9-10H2,(H2,21,25);1-8,11-12H,9-10H2;1-7,10-12H,8-9H2.
What are the key properties of 2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone?
2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 2381.81 g/mol, XLogP of 24.75, 45 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-4-yl)-1-(furan-3-yl)ethanone;3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzamide;2-[3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]phenoxy]acetic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(4-ethoxyphenyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-2-ylethanone;2-[1-(2-cyclohexylethyl)imidazol-4-yl]-1-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 162099540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).