2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea

C11H14ClN5O — CID 83112157

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea
SMILESNC(=O)NCCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C11H14ClN5O/c12-8-1-2-10-16-9(7-17(10)6-8)5-14-3-4-15-11(13)18/h1-2,6-7,14H,3-5H2,(H3,13,15,18)
InChIKeyAAUZAYDAXGZDQA-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.75
Rot. Bonds5

About 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea (PubChem CID 83112157) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea
PubChem CID83112157
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea
SMILESNC(=O)NCCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C11H14ClN5O/c12-8-1-2-10-16-9(7-17(10)6-8)5-14-3-4-15-11(13)18/h1-2,6-7,14H,3-5H2,(H3,13,15,18)
InChIKeyAAUZAYDAXGZDQA-UHFFFAOYSA-N
XLogP0.75
TPSA84.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea (CID 83112157) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea is NC(=O)NCCNCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea?
The InChIKey is AAUZAYDAXGZDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c12-8-1-2-10-16-9(7-17(10)6-8)5-14-3-4-15-11(13)18/h1-2,6-7,14H,3-5H2,(H3,13,15,18).
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea has a molecular weight of 267.72 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea is sourced from PubChem (CID 83112157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).