1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one

C22H24ClN5O — CID 57378650

IUPAC1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccccc32)nc2nc(Cl)ccc21
InChIInChI=1S/C22H24ClN5O/c1-14(2)11-12-26-18-9-10-19(23)24-21(18)25-20(26)13-27-16-5-3-4-6-17(16)28(22(27)29)15-7-8-15/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3
InChIKeyLPSDYGVICWALED-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.63
Rot. Bonds6

About 1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one

1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one (PubChem CID 57378650) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is 1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
PubChem CID57378650
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccccc32)nc2nc(Cl)ccc21
InChIInChI=1S/C22H24ClN5O/c1-14(2)11-12-26-18-9-10-19(23)24-21(18)25-20(26)13-27-16-5-3-4-6-17(16)28(22(27)29)15-7-8-15/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3
InChIKeyLPSDYGVICWALED-UHFFFAOYSA-N
XLogP4.63
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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-[[5-chloro-1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
CID 122520250
1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one
CID 57378765
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
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
5-chloro-2-[(1-cyclopropyl-2H-imidazo[4,5-c]pyridin-3-yl)methyl]-1-(3-methylbutyl)imidazo[4,5-b]pyridine
CID 134251358
3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
CID 20814053
3-cyclopropyl-1-[[5-(hydroxymethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
CID 20814055
4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 4-methylbenzenesulfonate
CID 88544981
1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one
CID 118058836
5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one
CID 118058936

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one?
The IUPAC name of 1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one (CID 57378650) is 1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one.
What is the SMILES notation for 1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one?
The canonical SMILES for 1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one is CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccccc32)nc2nc(Cl)ccc21.
What is the InChIKey of 1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one?
The InChIKey is LPSDYGVICWALED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-14(2)11-12-26-18-9-10-19(23)24-21(18)25-20(26)13-27-16-5-3-4-6-17(16)28(22(27)29)15-7-8-15/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3.
What are the key properties of 1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one?
1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one has a molecular weight of 409.92 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one is sourced from PubChem (CID 57378650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).