N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C27H21F2N5O2 — CID 29264557

IUPACN-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)N(CCc2c[nH]c3ccccc23)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1
InChIInChI=1S/C27H21F2N5O2/c28-19-10-9-17(13-20(19)29)31-25(35)14-24-26(36)33(27-32-22-7-3-4-8-23(22)34(24)27)12-11-16-15-30-21-6-2-1-5-18(16)21/h1-10,13,15,24,30H,11-12,14H2,(H,31,35)/t24-/m1/s1
InChIKeyJCGYUZMRZIFVCH-XMMPIXPASA-N
MW485.49 g/mol
LogP4.95
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 29264557) has the molecular formula C27H21F2N5O2 and a molecular weight of 485.49 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID29264557
Molecular FormulaC27H21F2N5O2
Molecular Weight485.49 g/mol
Exact Mass485.17
IUPAC NameN-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)N(CCc2c[nH]c3ccccc23)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1
InChIInChI=1S/C27H21F2N5O2/c28-19-10-9-17(13-20(19)29)31-25(35)14-24-26(36)33(27-32-22-7-3-4-8-23(22)34(24)27)12-11-16-15-30-21-6-2-1-5-18(16)21/h1-10,13,15,24,30H,11-12,14H2,(H,31,35)/t24-/m1/s1
InChIKeyJCGYUZMRZIFVCH-XMMPIXPASA-N
XLogP4.95
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 94859705
N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 29264581
N-(4-fluorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25252347
N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094585
N-(3-fluorophenyl)-2-[(1R)-3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094645
N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250499
N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109798
N-(1,3-benzodioxol-5-yl)-2-[(1S)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630800
2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 31056559
2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 31056825
N-(2-fluorophenyl)-2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832462
N-(3,4-dimethylphenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056906

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 29264557) is N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is O=C(C[C@@H]1C(=O)N(CCc2c[nH]c3ccccc23)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is JCGYUZMRZIFVCH-XMMPIXPASA-N. The full InChI is InChI=1S/C27H21F2N5O2/c28-19-10-9-17(13-20(19)29)31-25(35)14-24-26(36)33(27-32-22-7-3-4-8-23(22)34(24)27)12-11-16-15-30-21-6-2-1-5-18(16)21/h1-10,13,15,24,30H,11-12,14H2,(H,31,35)/t24-/m1/s1.
What are the key properties of N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 485.49 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(1R)-3-[2-(1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 29264557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).