ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one

C103H113F3N12O7 — CID 157254988

About ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one

ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one (PubChem CID 157254988) has the molecular formula C103H113F3N12O7 and a molecular weight of 1688.11 g/mol. Its IUPAC name is ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one.

Molecular Properties

• Compound Name: ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one
• PubChem CID: 157254988
• Molecular Formula: C103H113F3N12O7
• Molecular Weight: 1688.11 g/mol
• Exact Mass: 1686.88
• IUPAC Name: ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one
• SMILES: C.CC.CC.CC.CC.Cc1ccc2cccc(C(=O)NCCc3cncn3Cc3cccc(F)c3)c2c1.Cc1ccc2cccc(C(=O)O)c2c1.NCCc1cncn1Cc1cccc(F)c1.O=C(NCCc1cncn1Cc1cccc(F)c1)c1cccc2ccc(O)cc12.O=C1NCCc2cncn2Cc2cccc(c2)Oc2ccc3cccc1c3c2
• InChI: InChI=1S/C24H22FN3O.C23H20FN3O2.C23H19N3O2.C12H14FN3.C12H10O2.4C2H6.CH4/c1-17-8-9-19-5-3-7-22(23(19)12-17)24(29)27-11-10-21-14-26-16-28(21)15-18-4-2-6-20(25)13-18;24-18-5-1-3-16(11-18)14-27-15-25-13-19(27)9-10-26-23(29)21-6-2-4-17-7-8-20(28)12-22(17)21;27-23-21-6-2-4-17-7-8-20(12-22(17)21)28-19-5-1-3-16(11-19)14-26-15-24-13-18(26)9-10-25-23;13-11-3-1-2-10(6-11)8-16-9-15-7-12(16)4-5-14;1-8-5-6-9-3-2-4-10(12(13)14)11(9)7-8;4*1-2;/h2-9,12-14,16H,10-11,15H2,1H3,(H,27,29);1-8,11-13,15,28H,9-10,14H2,(H,26,29);1-8,11-13,15H,9-10,14H2,(H,25,27);1-3,6-7,9H,4-5,8,14H2;2-7H,1H3,(H,13,14);4*1-2H3;1H4
• InChIKey: AWUAJRPYLODPRT-UHFFFAOYSA-N
• XLogP: 21.73
• TPSA: 251.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1688.11
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one?

The IUPAC name of ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one (CID 157254988) is ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one.

What is the SMILES notation for ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one?

The canonical SMILES for ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one is C.CC.CC.CC.CC.Cc1ccc2cccc(C(=O)NCCc3cncn3Cc3cccc(F)c3)c2c1.Cc1ccc2cccc(C(=O)O)c2c1.NCCc1cncn1Cc1cccc(F)c1.O=C(NCCc1cncn1Cc1cccc(F)c1)c1cccc2ccc(O)cc12.O=C1NCCc2cncn2Cc2cccc(c2)Oc2ccc3cccc1c3c2.

What is the InChIKey of ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one?

The InChIKey is AWUAJRPYLODPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O.C23H20FN3O2.C23H19N3O2.C12H14FN3.C12H10O2.4C2H6.CH4/c1-17-8-9-19-5-3-7-22(23(19)12-17)24(29)27-11-10-21-14-26-16-28(21)15-18-4-2-6-20(25)13-18;24-18-5-1-3-16(11-18)14-27-15-25-13-19(27)9-10-26-23(29)21-6-2-4-17-7-8-20(28)12-22(17)21;27-23-21-6-2-4-17-7-8-20(12-22(17)21)28-19-5-1-3-16(11-19)14-26-15-24-13-18(26)9-10-25-23;13-11-3-1-2-10(6-11)8-16-9-15-7-12(16)4-5-14;1-8-5-6-9-3-2-4-10(12(13)14)11(9)7-8;4*1-2;/h2-9,12-14,16H,10-11,15H2,1H3,(H,27,29);1-8,11-13,15,28H,9-10,14H2,(H,26,29);1-8,11-13,15H,9-10,14H2,(H,25,27);1-3,6-7,9H,4-5,8,14H2;2-7H,1H3,(H,13,14);4*1-2H3;1H4.

What are the key properties of ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one?

ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one has a molecular weight of 1688.11 g/mol, XLogP of 21.73, 17 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one is sourced from PubChem (CID 157254988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).