2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea

C11H13Cl2N5O — CID 83114812

IUPAC2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea
SMILESCC(Cl)c1nc2cc(Cl)cnc2n1CCNC(N)=O
InChIInChI=1S/C11H13Cl2N5O/c1-6(12)9-17-8-4-7(13)5-16-10(8)18(9)3-2-15-11(14)19/h4-6H,2-3H2,1H3,(H3,14,15,19)
InChIKeySMZJNLPEUNWWQX-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.05
Rot. Bonds4

About 2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea

2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea (PubChem CID 83114812) has the molecular formula C11H13Cl2N5O and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea.

Molecular Properties

Compound Name2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea
PubChem CID83114812
Molecular FormulaC11H13Cl2N5O
Molecular Weight302.17 g/mol
Exact Mass301.05
IUPAC Name2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea
SMILESCC(Cl)c1nc2cc(Cl)cnc2n1CCNC(N)=O
InChIInChI=1S/C11H13Cl2N5O/c1-6(12)9-17-8-4-7(13)5-16-10(8)18(9)3-2-15-11(14)19/h4-6H,2-3H2,1H3,(H3,14,15,19)
InChIKeySMZJNLPEUNWWQX-UHFFFAOYSA-N
XLogP2.05
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.05
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-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea?
The IUPAC name of 2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea (CID 83114812) is 2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea.
What is the SMILES notation for 2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea?
The canonical SMILES for 2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea is CC(Cl)c1nc2cc(Cl)cnc2n1CCNC(N)=O.
What is the InChIKey of 2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea?
The InChIKey is SMZJNLPEUNWWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5O/c1-6(12)9-17-8-4-7(13)5-16-10(8)18(9)3-2-15-11(14)19/h4-6H,2-3H2,1H3,(H3,14,15,19).
What are the key properties of 2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea?
2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea has a molecular weight of 302.17 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea is sourced from PubChem (CID 83114812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).