2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid

C97H113F2N13O13 — CID 159344296

About 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid

2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid (PubChem CID 159344296) has the molecular formula C97H113F2N13O13 and a molecular weight of 1707.04 g/mol. Its IUPAC name is 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
• PubChem CID: 159344296
• Molecular Formula: C97H113F2N13O13
• Molecular Weight: 1707.04 g/mol
• Exact Mass: 1705.85
• IUPAC Name: 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
• SMILES: CC(=O)c1ccc(Cn2ccnc2CCCc2cc(C(=O)O)cc(C)n2)cc1.Cc1cc(C(=O)O)cc(CCCc2nc3c(n2Cc2ccc(F)cc2)CCC3)n1.Cc1cc(C(=O)O)cc(CCCc2nccn2CC(C)C)n1.Cc1cc(C(=O)O)cc(CC[C@H](CO)CC(C)C)n1.O=C(O)c1cc(CO)nc(CCCc2nccn2Cc2ccc(F)cc2)c1
• InChI: InChI=1S/C23H24FN3O2.C22H23N3O3.C20H20FN3O3.C17H23N3O2.C15H23NO3/c1-15-12-17(23(28)29)13-19(25-15)4-2-7-22-26-20-5-3-6-21(20)27(22)14-16-8-10-18(24)11-9-16;1-15-12-19(22(27)28)13-20(24-15)4-3-5-21-23-10-11-25(21)14-17-6-8-18(9-7-17)16(2)26;21-16-6-4-14(5-7-16)12-24-9-8-22-19(24)3-1-2-17-10-15(20(26)27)11-18(13-25)23-17;1-12(2)11-20-8-7-18-16(20)6-4-5-15-10-14(17(21)22)9-13(3)19-15;1-10(2)6-12(9-17)4-5-14-8-13(15(18)19)7-11(3)16-14/h8-13H,2-7,14H2,1H3,(H,28,29);6-13H,3-5,14H2,1-2H3,(H,27,28);4-11,25H,1-3,12-13H2,(H,26,27);7-10,12H,4-6,11H2,1-3H3,(H,21,22);7-8,10,12,17H,4-6,9H2,1-3H3,(H,18,19)/t;;;;12-/m....0/s1
• InChIKey: LGNGQACNZRYWCH-RQZVNLNJSA-N
• XLogP: 16.47
• TPSA: 379.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 37
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1707.04
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid (CID 159344296) is 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid is CC(=O)c1ccc(Cn2ccnc2CCCc2cc(C(=O)O)cc(C)n2)cc1.Cc1cc(C(=O)O)cc(CCCc2nc3c(n2Cc2ccc(F)cc2)CCC3)n1.Cc1cc(C(=O)O)cc(CCCc2nccn2CC(C)C)n1.Cc1cc(C(=O)O)cc(CC[C@H](CO)CC(C)C)n1.O=C(O)c1cc(CO)nc(CCCc2nccn2Cc2ccc(F)cc2)c1.

What is the InChIKey of 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid?

The InChIKey is LGNGQACNZRYWCH-RQZVNLNJSA-N. The full InChI is InChI=1S/C23H24FN3O2.C22H23N3O3.C20H20FN3O3.C17H23N3O2.C15H23NO3/c1-15-12-17(23(28)29)13-19(25-15)4-2-7-22-26-20-5-3-6-21(20)27(22)14-16-8-10-18(24)11-9-16;1-15-12-19(22(27)28)13-20(24-15)4-3-5-21-23-10-11-25(21)14-17-6-8-18(9-7-17)16(2)26;21-16-6-4-14(5-7-16)12-24-9-8-22-19(24)3-1-2-17-10-15(20(26)27)11-18(13-25)23-17;1-12(2)11-20-8-7-18-16(20)6-4-5-15-10-14(17(21)22)9-13(3)19-15;1-10(2)6-12(9-17)4-5-14-8-13(15(18)19)7-11(3)16-14/h8-13H,2-7,14H2,1H3,(H,28,29);6-13H,3-5,14H2,1-2H3,(H,27,28);4-11,25H,1-3,12-13H2,(H,26,27);7-10,12H,4-6,11H2,1-3H3,(H,21,22);7-8,10,12,17H,4-6,9H2,1-3H3,(H,18,19)/t;;;;12-/m....0/s1.

What are the key properties of 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid?

2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid has a molecular weight of 1707.04 g/mol, XLogP of 16.47, 37 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159344296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).