N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C17H19N5O3 — CID 91789595

IUPACN-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1ccc2[nH]c(CCNC(=O)Cc3c[nH]c(=O)[nH]c3=O)nc2c1C
InChIInChI=1S/C17H19N5O3/c1-9-3-4-12-15(10(9)2)21-13(20-12)5-6-18-14(23)7-11-8-19-17(25)22-16(11)24/h3-4,8H,5-7H2,1-2H3,(H,18,23)(H,20,21)(H2,19,22,24,25)
InChIKeyDAYSAIVMUZJWIE-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.46
Rot. Bonds5

About N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91789595) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91789595
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1ccc2[nH]c(CCNC(=O)Cc3c[nH]c(=O)[nH]c3=O)nc2c1C
InChIInChI=1S/C17H19N5O3/c1-9-3-4-12-15(10(9)2)21-13(20-12)5-6-18-14(23)7-11-8-19-17(25)22-16(11)24/h3-4,8H,5-7H2,1-2H3,(H,18,23)(H,20,21)(H2,19,22,24,25)
InChIKeyDAYSAIVMUZJWIE-UHFFFAOYSA-N
XLogP0.46
TPSA123.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
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N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide
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CID 46972199
(3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide
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1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
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N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 77087696
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
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N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-4-pyrazol-1-ylbutanamide
CID 91841705
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(ethylamino)pyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 91789595) is N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cc1ccc2[nH]c(CCNC(=O)Cc3c[nH]c(=O)[nH]c3=O)nc2c1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is DAYSAIVMUZJWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-9-3-4-12-15(10(9)2)21-13(20-12)5-6-18-14(23)7-11-8-19-17(25)22-16(11)24/h3-4,8H,5-7H2,1-2H3,(H,18,23)(H,20,21)(H2,19,22,24,25).
What are the key properties of N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91789595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).