3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea

C13H15BrF2N4O — CID 166286356

IUPAC3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea
SMILESCN(CCC(F)F)C(=O)NCc1cn2cccc(Br)c2n1
InChIInChI=1S/C13H15BrF2N4O/c1-19(6-4-11(15)16)13(21)17-7-9-8-20-5-2-3-10(14)12(20)18-9/h2-3,5,8,11H,4,6-7H2,1H3,(H,17,21)
InChIKeyIFMAEHKIGFDTCR-UHFFFAOYSA-N
MW361.19 g/mol
LogP2.89
Rot. Bonds5

About 3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea

3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea (PubChem CID 166286356) has the molecular formula C13H15BrF2N4O and a molecular weight of 361.19 g/mol. Its IUPAC name is 3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea.

Molecular Properties

Compound Name3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea
PubChem CID166286356
Molecular FormulaC13H15BrF2N4O
Molecular Weight361.19 g/mol
Exact Mass360.04
IUPAC Name3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea
SMILESCN(CCC(F)F)C(=O)NCc1cn2cccc(Br)c2n1
InChIInChI=1S/C13H15BrF2N4O/c1-19(6-4-11(15)16)13(21)17-7-9-8-20-5-2-3-10(14)12(20)18-9/h2-3,5,8,11H,4,6-7H2,1H3,(H,17,21)
InChIKeyIFMAEHKIGFDTCR-UHFFFAOYSA-N
XLogP2.89
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea?
The IUPAC name of 3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea (CID 166286356) is 3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea.
What is the SMILES notation for 3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea?
The canonical SMILES for 3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea is CN(CCC(F)F)C(=O)NCc1cn2cccc(Br)c2n1.
What is the InChIKey of 3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea?
The InChIKey is IFMAEHKIGFDTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N4O/c1-19(6-4-11(15)16)13(21)17-7-9-8-20-5-2-3-10(14)12(20)18-9/h2-3,5,8,11H,4,6-7H2,1H3,(H,17,21).
What are the key properties of 3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea?
3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea has a molecular weight of 361.19 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3,3-difluoropropyl)-1-methylurea is sourced from PubChem (CID 166286356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).