2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide

C16H16FN5O3 — CID 90653183

IUPAC2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)NCCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H16FN5O3/c17-10-3-4-11-12(7-10)21-13(20-11)2-1-5-18-14(23)6-9-8-19-16(25)22-15(9)24/h3-4,7-8H,1-2,5-6H2,(H,18,23)(H,20,21)(H2,19,22,24,25)
InChIKeyLRIGMFYIKBYAHS-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.37
Rot. Bonds6

About 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide

2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide (PubChem CID 90653183) has the molecular formula C16H16FN5O3 and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
PubChem CID90653183
Molecular FormulaC16H16FN5O3
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)NCCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H16FN5O3/c17-10-3-4-11-12(7-10)21-13(20-11)2-1-5-18-14(23)6-9-8-19-16(25)22-15(9)24/h3-4,7-8H,1-2,5-6H2,(H,18,23)(H,20,21)(H2,19,22,24,25)
InChIKeyLRIGMFYIKBYAHS-UHFFFAOYSA-N
XLogP0.37
TPSA123.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 162625615
2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90650123
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91789595
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125175720
2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 118775456
2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 84560321
(3R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]oxolane-3-carboxamide
CID 125179191
(1R,2R,4R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 46972732
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanamide
CID 51593462
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide (CID 90653183) is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide is O=C(Cc1c[nH]c(=O)[nH]c1=O)NCCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide?
The InChIKey is LRIGMFYIKBYAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3/c17-10-3-4-11-12(7-10)21-13(20-11)2-1-5-18-14(23)6-9-8-19-16(25)22-15(9)24/h3-4,7-8H,1-2,5-6H2,(H,18,23)(H,20,21)(H2,19,22,24,25).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide?
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide has a molecular weight of 345.33 g/mol, XLogP of 0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 90653183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).