2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide

C19H14FN5O3 — CID 55964966

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C19H14FN5O3/c20-12-3-1-11(2-4-12)18-22-14-6-5-13(9-15(14)23-18)21-17(27)10-25-8-7-16(26)24-19(25)28/h1-9H,10H2,(H,21,27)(H,22,23)(H,24,26,28)
InChIKeyDKCRESQKOLFEKC-UHFFFAOYSA-N
MW379.35 g/mol
LogP1.86
Rot. Bonds4

About 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 55964966) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
PubChem CID55964966
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C19H14FN5O3/c20-12-3-1-11(2-4-12)18-22-14-6-5-13(9-15(14)23-18)21-17(27)10-25-8-7-16(26)24-19(25)28/h1-9H,10H2,(H,21,27)(H,22,23)(H,24,26,28)
InChIKeyDKCRESQKOLFEKC-UHFFFAOYSA-N
XLogP1.86
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55965099
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
2-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717495
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide
CID 56673048
2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 166322510
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
2-(2H-triazol-4-ylsulfanyl)-N-[4-[6-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]-1H-benzimidazol-2-yl]phenyl]acetamide
CID 17325104
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55933918
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935054
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide
CID 119941337

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide (CID 55964966) is 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is DKCRESQKOLFEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c20-12-3-1-11(2-4-12)18-22-14-6-5-13(9-15(14)23-18)21-17(27)10-25-8-7-16(26)24-19(25)28/h1-9H,10H2,(H,21,27)(H,22,23)(H,24,26,28).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 379.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 55964966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).