(2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone

C169H158N20O7 — CID 159043389

IUPAC(2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone
SMILESCc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCn1cccc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCn1cnc2ccccc21)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCn1cccc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCn1cnc2ccccc21)c1ccccc1
InChIInChI=1S/2C25H22N4O.3C25H24N2O.2C22H21N3O/c2*30-25(20-16-27-21-11-5-4-10-19(20)21)24(18-8-2-1-3-9-18)26-14-15-29-17-28-22-12-6-7-13-23(22)29;3*1-18-11-13-19(14-12-18)15-16-26-24(20-7-3-2-4-8-20)25(28)22-17-27-23-10-6-5-9-21(22)23;2*26-22(19-16-24-20-11-5-4-10-18(19)20)21(17-8-2-1-3-9-17)23-12-15-25-13-6-7-14-25/h2*1-13,16-17,24,26-27H,14-15H2;3*2-14,17,24,26-27H,15-16H2,1H3;2*1-11,13-14,16,21,23-24H,12,15H2/t5*24-;2*21-/m1010010/s1
InChIKeyJWIWXRFJASVWBM-DYHBVPKUSA-N
MW2581.26 g/mol
LogP33.53
Rot. Bonds49

About (2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone

(2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone (PubChem CID 159043389) has the molecular formula C169H158N20O7 and a molecular weight of 2581.26 g/mol. Its IUPAC name is (2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone.

Molecular Properties

Compound Name(2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone
PubChem CID159043389
Molecular FormulaC169H158N20O7
Molecular Weight2581.26 g/mol
Exact Mass2579.26
IUPAC Name(2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone
SMILESCc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCn1cccc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCn1cnc2ccccc21)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCn1cccc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCn1cnc2ccccc21)c1ccccc1
InChIInChI=1S/2C25H22N4O.3C25H24N2O.2C22H21N3O/c2*30-25(20-16-27-21-11-5-4-10-19(20)21)24(18-8-2-1-3-9-18)26-14-15-29-17-28-22-12-6-7-13-23(22)29;3*1-18-11-13-19(14-12-18)15-16-26-24(20-7-3-2-4-8-20)25(28)22-17-27-23-10-6-5-9-21(22)23;2*26-22(19-16-24-20-11-5-4-10-18(19)20)21(17-8-2-1-3-9-17)23-12-15-25-13-6-7-14-25/h2*1-13,16-17,24,26-27H,14-15H2;3*2-14,17,24,26-27H,15-16H2,1H3;2*1-11,13-14,16,21,23-24H,12,15H2/t5*24-;2*21-/m1010010/s1
InChIKeyJWIWXRFJASVWBM-DYHBVPKUSA-N
XLogP33.53
TPSA359.73 Ų
H-Bond Donors14
H-Bond Acceptors20
Rotatable Bonds49
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002581.26
LogP ≤ 533.53
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1020

Analyze (2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone?
The IUPAC name of (2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone (CID 159043389) is (2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone.
What is the SMILES notation for (2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone?
The canonical SMILES for (2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone is Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCn1cccc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCn1cnc2ccccc21)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCn1cccc1)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCn1cnc2ccccc21)c1ccccc1.
What is the InChIKey of (2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone?
The InChIKey is JWIWXRFJASVWBM-DYHBVPKUSA-N. The full InChI is InChI=1S/2C25H22N4O.3C25H24N2O.2C22H21N3O/c2*30-25(20-16-27-21-11-5-4-10-19(20)21)24(18-8-2-1-3-9-18)26-14-15-29-17-28-22-12-6-7-13-23(22)29;3*1-18-11-13-19(14-12-18)15-16-26-24(20-7-3-2-4-8-20)25(28)22-17-27-23-10-6-5-9-21(22)23;2*26-22(19-16-24-20-11-5-4-10-18(19)20)21(17-8-2-1-3-9-17)23-12-15-25-13-6-7-14-25/h2*1-13,16-17,24,26-27H,14-15H2;3*2-14,17,24,26-27H,15-16H2,1H3;2*1-11,13-14,16,21,23-24H,12,15H2/t5*24-;2*21-/m1010010/s1.
What are the key properties of (2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone?
(2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone has a molecular weight of 2581.26 g/mol, XLogP of 33.53, 49 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone is sourced from PubChem (CID 159043389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).