N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide

C25H28N6O4 — CID 27668783

IUPACN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)c1c(N)n(CCOC)c(=O)[nH]c1=O
InChIInChI=1S/C25H28N6O4/c1-3-20-27-18-11-7-8-12-19(18)30(20)16-21(32)31(15-17-9-5-4-6-10-17)22-23(26)29(13-14-35-2)25(34)28-24(22)33/h4-12H,3,13-16,26H2,1-2H3,(H,28,33,34)
InChIKeyJGHTZYNKZATOGW-UHFFFAOYSA-N
MW476.54 g/mol
LogP1.91
Rot. Bonds9

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide (PubChem CID 27668783) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide
PubChem CID27668783
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)c1c(N)n(CCOC)c(=O)[nH]c1=O
InChIInChI=1S/C25H28N6O4/c1-3-20-27-18-11-7-8-12-19(18)30(20)16-21(32)31(15-17-9-5-4-6-10-17)22-23(26)29(13-14-35-2)25(34)28-24(22)33/h4-12H,3,13-16,26H2,1-2H3,(H,28,33,34)
InChIKeyJGHTZYNKZATOGW-UHFFFAOYSA-N
XLogP1.91
TPSA128.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
CID 31301943
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600439
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(1-methylpyrazol-3-yl)acetamide
CID 166207619
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42906788
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(3,5-dimethylphenoxy)propanamide
CID 35535172
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505834
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43035654
(E)-N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-phenylprop-2-enamide
CID 7998169
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide
CID 16548948
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide
CID 4816263
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,2-dichlorocyclopropane-1-carboxamide
CID 42906790
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-1,3-benzothiazole-6-carboxamide
CID 16548940

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide (CID 27668783) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide is CCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)c1c(N)n(CCOC)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide?
The InChIKey is JGHTZYNKZATOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-3-20-27-18-11-7-8-12-19(18)30(20)16-21(32)31(15-17-9-5-4-6-10-17)22-23(26)29(13-14-35-2)25(34)28-24(22)33/h4-12H,3,13-16,26H2,1-2H3,(H,28,33,34).
What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide?
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide has a molecular weight of 476.54 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 27668783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).