1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone

C15H14FN5O — CID 72885576

IUPAC1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCc2nc3ccc(F)cc3[nH]2)nc1C
InChIInChI=1S/C15H14FN5O/c1-8-11(9(2)22)6-17-15(19-8)18-7-14-20-12-4-3-10(16)5-13(12)21-14/h3-6H,7H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeySPXIIXDHKKAZGG-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.62
Rot. Bonds4

About 1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone

1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 72885576) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone
PubChem CID72885576
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCc2nc3ccc(F)cc3[nH]2)nc1C
InChIInChI=1S/C15H14FN5O/c1-8-11(9(2)22)6-17-15(19-8)18-7-14-20-12-4-3-10(16)5-13(12)21-14/h3-6H,7H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeySPXIIXDHKKAZGG-UHFFFAOYSA-N
XLogP2.62
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 77080225
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119885393
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 131898907
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 133378556
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46985250
(2S)-2-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119885407
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 71867281
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone (CID 72885576) is 1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone is CC(=O)c1cnc(NCc2nc3ccc(F)cc3[nH]2)nc1C.
What is the InChIKey of 1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is SPXIIXDHKKAZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-8-11(9(2)22)6-17-15(19-8)18-7-14-20-12-4-3-10(16)5-13(12)21-14/h3-6H,7H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 299.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 72885576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).