N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide

C117H103ClN24O14 — CID 159306151

About N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide

N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide (PubChem CID 159306151) has the molecular formula C117H103ClN24O14 and a molecular weight of 2104.72 g/mol. Its IUPAC name is N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide
• PubChem CID: 159306151
• Molecular Formula: C117H103ClN24O14
• Molecular Weight: 2104.72 g/mol
• Exact Mass: 2102.78
• IUPAC Name: N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide
• SMILES: CCOc1ccc(-c2c(Cc3ccccc3)nc([C@H](Cc3ccccn3)NC(=O)c3cc4ccccc4[nH]3)n2C)cc1.COc1ccc(NC(=O)C[C@H](NC(=O)c2cc3ccccc3[nH]2)c2ncc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](CC(=O)Nc1ccccn1)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
• InChI: InChI=1S/C35H33N5O2.C29H26N6O5.C27H23N7O4.C26H21ClN6O3/c1-3-42-28-18-16-25(17-19-28)33-30(21-24-11-5-4-6-12-24)38-34(40(33)2)31(23-27-14-9-10-20-36-27)39-35(41)32-22-26-13-7-8-15-29(26)37-32;1-34-26(18-7-11-21(12-8-18)35(38)39)17-30-28(34)24(16-27(36)31-20-9-13-22(40-2)14-10-20)33-29(37)25-15-19-5-3-4-6-23(19)32-25;1-33-23(17-9-11-19(12-10-17)34(37)38)16-29-26(33)21(15-25(35)32-24-8-4-5-13-28-24)31-27(36)22-14-18-6-2-3-7-20(18)30-22;1-32-24(16-5-8-20(9-6-16)33(35)36)15-29-25(32)22(14-19-4-2-3-11-28-19)31-26(34)23-13-17-12-18(27)7-10-21(17)30-23/h4-20,22,31,37H,3,21,23H2,1-2H3,(H,39,41);3-15,17,24,32H,16H2,1-2H3,(H,31,36)(H,33,37);2-14,16,21,30H,15H2,1H3,(H,31,36)(H,28,32,35);2-13,15,22,30H,14H2,1H3,(H,31,34)/t31-;24-;21-;22-/m0000/s1
• InChIKey: LBYDRWHOSNTQTF-WLHMHEPSSA-N
• XLogP: 21.26
• TPSA: 495.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 34
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2104.72
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide?

The IUPAC name of N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide (CID 159306151) is N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide is CCOc1ccc(-c2c(Cc3ccccc3)nc([C@H](Cc3ccccn3)NC(=O)c3cc4ccccc4[nH]3)n2C)cc1.COc1ccc(NC(=O)C[C@H](NC(=O)c2cc3ccccc3[nH]2)c2ncc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](CC(=O)Nc1ccccn1)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.

What is the InChIKey of N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide?

The InChIKey is LBYDRWHOSNTQTF-WLHMHEPSSA-N. The full InChI is InChI=1S/C35H33N5O2.C29H26N6O5.C27H23N7O4.C26H21ClN6O3/c1-3-42-28-18-16-25(17-19-28)33-30(21-24-11-5-4-6-12-24)38-34(40(33)2)31(23-27-14-9-10-20-36-27)39-35(41)32-22-26-13-7-8-15-29(26)37-32;1-34-26(18-7-11-21(12-8-18)35(38)39)17-30-28(34)24(16-27(36)31-20-9-13-22(40-2)14-10-20)33-29(37)25-15-19-5-3-4-6-23(19)32-25;1-33-23(17-9-11-19(12-10-17)34(37)38)16-29-26(33)21(15-25(35)32-24-8-4-5-13-28-24)31-27(36)22-14-18-6-2-3-7-20(18)30-22;1-32-24(16-5-8-20(9-6-16)33(35)36)15-29-25(32)22(14-19-4-2-3-11-28-19)31-26(34)23-13-17-12-18(27)7-10-21(17)30-23/h4-20,22,31,37H,3,21,23H2,1-2H3,(H,39,41);3-15,17,24,32H,16H2,1-2H3,(H,31,36)(H,33,37);2-14,16,21,30H,15H2,1H3,(H,31,36)(H,28,32,35);2-13,15,22,30H,14H2,1H3,(H,31,34)/t31-;24-;21-;22-/m0000/s1.

What are the key properties of N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide?

N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide has a molecular weight of 2104.72 g/mol, XLogP of 21.26, 34 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 159306151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).