3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide

C24H23ClN4O5 — CID 29134314

IUPAC3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H23ClN4O5/c25-16-2-3-18-17(10-16)15(11-27-18)7-8-26-22(30)6-4-19-23(31)29(24(32)28-19)12-14-1-5-20-21(9-14)34-13-33-20/h1-3,5,9-11,19,27H,4,6-8,12-13H2,(H,26,30)(H,28,32)/t19-/m0/s1
InChIKeyAYCQRZHVARUCQB-IBGZPJMESA-N
MW482.92 g/mol
LogP3.11
Rot. Bonds8

About 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide

3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide (PubChem CID 29134314) has the molecular formula C24H23ClN4O5 and a molecular weight of 482.92 g/mol. Its IUPAC name is 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide
PubChem CID29134314
Molecular FormulaC24H23ClN4O5
Molecular Weight482.92 g/mol
Exact Mass482.14
IUPAC Name3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H23ClN4O5/c25-16-2-3-18-17(10-16)15(11-27-18)7-8-26-22(30)6-4-19-23(31)29(24(32)28-19)12-14-1-5-20-21(9-14)34-13-33-20/h1-3,5,9-11,19,27H,4,6-8,12-13H2,(H,26,30)(H,28,32)/t19-/m0/s1
InChIKeyAYCQRZHVARUCQB-IBGZPJMESA-N
XLogP3.11
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51833583
N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51837234
3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(3-chlorophenyl)methyl]propanamide
CID 73257738
3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 75488799
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 125434004
3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrrol-1-ylethyl)propanamide
CID 126418009
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide
CID 91821318
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 51836404
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 75357106
3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide
CID 73257741
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 51829953
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 51833849

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide (CID 29134314) is 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide is O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is AYCQRZHVARUCQB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23ClN4O5/c25-16-2-3-18-17(10-16)15(11-27-18)7-8-26-22(30)6-4-19-23(31)29(24(32)28-19)12-14-1-5-20-21(9-14)34-13-33-20/h1-3,5,9-11,19,27H,4,6-8,12-13H2,(H,26,30)(H,28,32)/t19-/m0/s1.
What are the key properties of 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide?
3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 482.92 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 29134314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).