3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one

C14H13FN4O — CID 146348514

IUPAC3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one
SMILESCn1c(Cn2cccc(N)c2=O)nc2cc(F)ccc21
InChIInChI=1S/C14H13FN4O/c1-18-12-5-4-9(15)7-11(12)17-13(18)8-19-6-2-3-10(16)14(19)20/h2-7H,8,16H2,1H3
InChIKeyZWVOYYKOLHOZSM-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.50
Rot. Bonds2

About 3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one

3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one (PubChem CID 146348514) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one
PubChem CID146348514
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one
SMILESCn1c(Cn2cccc(N)c2=O)nc2cc(F)ccc21
InChIInChI=1S/C14H13FN4O/c1-18-12-5-4-9(15)7-11(12)17-13(18)8-19-6-2-3-10(16)14(19)20/h2-7H,8,16H2,1H3
InChIKeyZWVOYYKOLHOZSM-UHFFFAOYSA-N
XLogP1.50
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 146363504
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile
CID 82332311
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742
3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one
CID 105403383
[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine
CID 115458013
2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine
CID 60783423
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one
CID 165473375
N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772670
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one (CID 146348514) is 3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one is Cn1c(Cn2cccc(N)c2=O)nc2cc(F)ccc21.
What is the InChIKey of 3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one?
The InChIKey is ZWVOYYKOLHOZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-18-12-5-4-9(15)7-11(12)17-13(18)8-19-6-2-3-10(16)14(19)20/h2-7H,8,16H2,1H3.
What are the key properties of 3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one?
3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one has a molecular weight of 272.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 146348514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).