2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea

C11H14ClN5O — CID 83114579

IUPAC2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea
SMILESCc1cnc2c(c1)nc(CCl)n2CCNC(N)=O
InChIInChI=1S/C11H14ClN5O/c1-7-4-8-10(15-6-7)17(9(5-12)16-8)3-2-14-11(13)18/h4,6H,2-3,5H2,1H3,(H3,13,14,18)
InChIKeyNFYXCXMSSDHJNB-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.15
Rot. Bonds4

About 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea

2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea (PubChem CID 83114579) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea.

Molecular Properties

Compound Name2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea
PubChem CID83114579
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea
SMILESCc1cnc2c(c1)nc(CCl)n2CCNC(N)=O
InChIInChI=1S/C11H14ClN5O/c1-7-4-8-10(15-6-7)17(9(5-12)16-8)3-2-14-11(13)18/h4,6H,2-3,5H2,1H3,(H3,13,14,18)
InChIKeyNFYXCXMSSDHJNB-UHFFFAOYSA-N
XLogP1.15
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea?
The IUPAC name of 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea (CID 83114579) is 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea.
What is the SMILES notation for 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea?
The canonical SMILES for 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea is Cc1cnc2c(c1)nc(CCl)n2CCNC(N)=O.
What is the InChIKey of 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea?
The InChIKey is NFYXCXMSSDHJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-7-4-8-10(15-6-7)17(9(5-12)16-8)3-2-14-11(13)18/h4,6H,2-3,5H2,1H3,(H3,13,14,18).
What are the key properties of 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea?
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea has a molecular weight of 267.72 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea is sourced from PubChem (CID 83114579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).