N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C27H23ClN4O3 — CID 41103981

IUPACN-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H23ClN4O3/c28-20-12-10-18(11-13-20)25(17-6-2-1-3-7-17)31-24(33)16-32-26(34)23(30-27(32)35)14-19-15-29-22-9-5-4-8-21(19)22/h1-13,15,23,25,29H,14,16H2,(H,30,35)(H,31,33)/t23-,25+/m0/s1
InChIKeyPXEGDZAHEGDVKD-UKILVPOCSA-N
MW486.96 g/mol
LogP4.19
Rot. Bonds7

About N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 41103981) has the molecular formula C27H23ClN4O3 and a molecular weight of 486.96 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID41103981
Molecular FormulaC27H23ClN4O3
Molecular Weight486.96 g/mol
Exact Mass486.15
IUPAC NameN-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H23ClN4O3/c28-20-12-10-18(11-13-20)25(17-6-2-1-3-7-17)31-24(33)16-32-26(34)23(30-27(32)35)14-19-15-29-22-9-5-4-8-21(19)22/h1-13,15,23,25,29H,14,16H2,(H,30,35)(H,31,33)/t23-,25+/m0/s1
InChIKeyPXEGDZAHEGDVKD-UKILVPOCSA-N
XLogP4.19
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 97081319
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51564726
N-(2,6-difluorophenyl)-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 9170327
N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2462942
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 3473430
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2470027
N-benzhydryl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 52506914
N-cycloheptyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556304
N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4204555
N-(3-fluorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51864114
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 47003741
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40810198

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 41103981) is N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is PXEGDZAHEGDVKD-UKILVPOCSA-N. The full InChI is InChI=1S/C27H23ClN4O3/c28-20-12-10-18(11-13-20)25(17-6-2-1-3-7-17)31-24(33)16-32-26(34)23(30-27(32)35)14-19-15-29-22-9-5-4-8-21(19)22/h1-13,15,23,25,29H,14,16H2,(H,30,35)(H,31,33)/t23-,25+/m0/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 486.96 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 41103981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).