N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

C23H25N5O4 — CID 124848719

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(N2C(=O)N[C@H](CC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)C2=O)cc1
InChIInChI=1S/C23H25N5O4/c1-13(2)20(21-24-16-6-4-5-7-17(16)25-21)27-19(29)12-18-22(30)28(23(31)26-18)14-8-10-15(32-3)11-9-14/h4-11,13,18,20H,12H2,1-3H3,(H,24,25)(H,26,31)(H,27,29)/t18-,20+/m1/s1
InChIKeyNHJCFFFZQILWGN-QUCCMNQESA-N
MW435.48 g/mol
LogP2.90
Rot. Bonds7

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 124848719) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID124848719
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(N2C(=O)N[C@H](CC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)C2=O)cc1
InChIInChI=1S/C23H25N5O4/c1-13(2)20(21-24-16-6-4-5-7-17(16)25-21)27-19(29)12-18-22(30)28(23(31)26-18)14-8-10-15(32-3)11-9-14/h4-11,13,18,20H,12H2,1-3H3,(H,24,25)(H,26,31)(H,27,29)/t18-,20+/m1/s1
InChIKeyNHJCFFFZQILWGN-QUCCMNQESA-N
XLogP2.90
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide
CID 124850212
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823091
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 8928025
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 60543061
3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 110205352
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 71831255
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 97045827
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55936739
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 124848719) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(N2C(=O)N[C@H](CC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)C2=O)cc1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is NHJCFFFZQILWGN-QUCCMNQESA-N. The full InChI is InChI=1S/C23H25N5O4/c1-13(2)20(21-24-16-6-4-5-7-17(16)25-21)27-19(29)12-18-22(30)28(23(31)26-18)14-8-10-15(32-3)11-9-14/h4-11,13,18,20H,12H2,1-3H3,(H,24,25)(H,26,31)(H,27,29)/t18-,20+/m1/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 435.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 124848719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).