N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide

C26H27N3O4 — CID 46943930

IUPACN-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide
SMILESCCc1nc2c(OCCOc3ccccc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H27N3O4/c1-4-22-25(28(2)26(30)19-12-14-20(31-3)15-13-19)29-16-8-11-23(24(29)27-22)33-18-17-32-21-9-6-5-7-10-21/h5-16H,4,17-18H2,1-3H3
InChIKeyLOGKWNBXTXBSNM-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.64
Rot. Bonds9

About N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide

N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide (PubChem CID 46943930) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide
PubChem CID46943930
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide
SMILESCCc1nc2c(OCCOc3ccccc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H27N3O4/c1-4-22-25(28(2)26(30)19-12-14-20(31-3)15-13-19)29-16-8-11-23(24(29)27-22)33-18-17-32-21-9-6-5-7-10-21/h5-16H,4,17-18H2,1-3H3
InChIKeyLOGKWNBXTXBSNM-UHFFFAOYSA-N
XLogP4.64
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide (CID 46943930) is N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide is CCc1nc2c(OCCOc3ccccc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide?
The InChIKey is LOGKWNBXTXBSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-4-22-25(28(2)26(30)19-12-14-20(31-3)15-13-19)29-16-8-11-23(24(29)27-22)33-18-17-32-21-9-6-5-7-10-21/h5-16H,4,17-18H2,1-3H3.
What are the key properties of N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide?
N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide has a molecular weight of 445.52 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 46943930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).