(E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide

C20H20ClN3O — CID 98667077

IUPAC(E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)N(Cc1ccccc1)C(=O)/C=C/c1c(Cl)nc2ccccn12
InChIInChI=1S/C20H20ClN3O/c1-15(2)24(14-16-8-4-3-5-9-16)19(25)12-11-17-20(21)22-18-10-6-7-13-23(17)18/h3-13,15H,14H2,1-2H3/b12-11+
InChIKeyKCTMFGKIMMGFRM-VAWYXSNFSA-N
MW353.85 g/mol
LogP4.44
Rot. Bonds5

About (E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide

(E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide (PubChem CID 98667077) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is (E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide
PubChem CID98667077
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name(E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)N(Cc1ccccc1)C(=O)/C=C/c1c(Cl)nc2ccccn12
InChIInChI=1S/C20H20ClN3O/c1-15(2)24(14-16-8-4-3-5-9-16)19(25)12-11-17-20(21)22-18-10-6-7-13-23(17)18/h3-13,15H,14H2,1-2H3/b12-11+
InChIKeyKCTMFGKIMMGFRM-VAWYXSNFSA-N
XLogP4.44
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide (CID 98667077) is (E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide is CC(C)N(Cc1ccccc1)C(=O)/C=C/c1c(Cl)nc2ccccn12.
What is the InChIKey of (E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide?
The InChIKey is KCTMFGKIMMGFRM-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-15(2)24(14-16-8-4-3-5-9-16)19(25)12-11-17-20(21)22-18-10-6-7-13-23(17)18/h3-13,15H,14H2,1-2H3/b12-11+.
What are the key properties of (E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide?
(E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide has a molecular weight of 353.85 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 98667077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).