1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one

C22H24FN5O — CID 57378765

IUPAC1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccc(F)cc32)nc2ncccc21
InChIInChI=1S/C22H24FN5O/c1-14(2)9-11-26-18-4-3-10-24-21(18)25-20(26)13-27-19-12-15(23)5-8-17(19)28(22(27)29)16-6-7-16/h3-5,8,10,12,14,16H,6-7,9,11,13H2,1-2H3
InChIKeyQRTZICCZDPMUMD-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.12
Rot. Bonds6

About 1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one

1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one (PubChem CID 57378765) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one
PubChem CID57378765
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccc(F)cc32)nc2ncccc21
InChIInChI=1S/C22H24FN5O/c1-14(2)9-11-26-18-4-3-10-24-21(18)25-20(26)13-27-19-12-15(23)5-8-17(19)28(22(27)29)16-6-7-16/h3-5,8,10,12,14,16H,6-7,9,11,13H2,1-2H3
InChIKeyQRTZICCZDPMUMD-UHFFFAOYSA-N
XLogP4.12
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one with MolForge

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Related Compounds

1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
CID 57378650
3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one
CID 57378766
3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 88544945
1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 57406132
5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one
CID 118058936
3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
CID 20814053
1-[[5-chloro-1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
CID 122520250
3-cyclopropyl-1-[[5-(hydroxymethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
CID 20814055
1-cyclopropyl-3-[[3-(3-methylbutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 67991772
1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 18334819
magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide
CID 159077189
1-[[5-chloro-1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one;1-[[5-chloro-1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-(oxetan-3-yl)benzimidazol-2-one;1-[[5-chloro-1-(3-methylsulfonylpropyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
CID 159751118

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one?
The IUPAC name of 1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one (CID 57378765) is 1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one?
The canonical SMILES for 1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one is CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccc(F)cc32)nc2ncccc21.
What is the InChIKey of 1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one?
The InChIKey is QRTZICCZDPMUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-14(2)9-11-26-18-4-3-10-24-21(18)25-20(26)13-27-19-12-15(23)5-8-17(19)28(22(27)29)16-6-7-16/h3-5,8,10,12,14,16H,6-7,9,11,13H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one?
1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one has a molecular weight of 393.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one is sourced from PubChem (CID 57378765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).