N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide

C26H25N5O3 — CID 40791005

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C26H25N5O3/c1-17-28-21-9-5-6-10-22(21)30(17)14-13-27-23(32)16-31-24(33)26(2,29-25(31)34)20-12-11-18-7-3-4-8-19(18)15-20/h3-12,15H,13-14,16H2,1-2H3,(H,27,32)(H,29,34)/t26-/m1/s1
InChIKeyIOFGRIBLBUVXFC-AREMUKBSSA-N
MW455.52 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 40791005) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID40791005
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C26H25N5O3/c1-17-28-21-9-5-6-10-22(21)30(17)14-13-27-23(32)16-31-24(33)26(2,29-25(31)34)20-12-11-18-7-3-4-8-19(18)15-20/h3-12,15H,13-14,16H2,1-2H3,(H,27,32)(H,29,34)/t26-/m1/s1
InChIKeyIOFGRIBLBUVXFC-AREMUKBSSA-N
XLogP3.08
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340418
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 51446549
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 18120796
N-[(2-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 18170358
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55372996
N-(3-indol-1-ylpropyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55378394
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24583706
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92509756
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26017425

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 40791005) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is IOFGRIBLBUVXFC-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-17-28-21-9-5-6-10-22(21)30(17)14-13-27-23(32)16-31-24(33)26(2,29-25(31)34)20-12-11-18-7-3-4-8-19(18)15-20/h3-12,15H,13-14,16H2,1-2H3,(H,27,32)(H,29,34)/t26-/m1/s1.
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 455.52 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 40791005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).