N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide

C34H35N3O2 — CID 44536079

IUPACN-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESCCCCCCOc1ccc(C(=O)N(Cc2ccccc2)c2c(-c3ccccc3)nc3cc(C)ccn23)cc1
InChIInChI=1S/C34H35N3O2/c1-3-4-5-12-23-39-30-19-17-29(18-20-30)34(38)37(25-27-13-8-6-9-14-27)33-32(28-15-10-7-11-16-28)35-31-24-26(2)21-22-36(31)33/h6-11,13-22,24H,3-5,12,23,25H2,1-2H3
InChIKeyUYXKAOUJGHLPCC-UHFFFAOYSA-N
MW517.67 g/mol
LogP8.12
Rot. Bonds11

About N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide

N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide (PubChem CID 44536079) has the molecular formula C34H35N3O2 and a molecular weight of 517.67 g/mol. Its IUPAC name is N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
PubChem CID44536079
Molecular FormulaC34H35N3O2
Molecular Weight517.67 g/mol
Exact Mass517.27
IUPAC NameN-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESCCCCCCOc1ccc(C(=O)N(Cc2ccccc2)c2c(-c3ccccc3)nc3cc(C)ccn23)cc1
InChIInChI=1S/C34H35N3O2/c1-3-4-5-12-23-39-30-19-17-29(18-20-30)34(38)37(25-27-13-8-6-9-14-27)33-32(28-15-10-7-11-16-28)35-31-24-26(2)21-22-36(31)33/h6-11,13-22,24H,3-5,12,23,25H2,1-2H3
InChIKeyUYXKAOUJGHLPCC-UHFFFAOYSA-N
XLogP8.12
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 58.12
H-Bond Donors ≤ 50
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 N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
The IUPAC name of N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide (CID 44536079) is N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide.
What is the SMILES notation for N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
The canonical SMILES for N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide is CCCCCCOc1ccc(C(=O)N(Cc2ccccc2)c2c(-c3ccccc3)nc3cc(C)ccn23)cc1.
What is the InChIKey of N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
The InChIKey is UYXKAOUJGHLPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O2/c1-3-4-5-12-23-39-30-19-17-29(18-20-30)34(38)37(25-27-13-8-6-9-14-27)33-32(28-15-10-7-11-16-28)35-31-24-26(2)21-22-36(31)33/h6-11,13-22,24H,3-5,12,23,25H2,1-2H3.
What are the key properties of N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide has a molecular weight of 517.67 g/mol, XLogP of 8.12, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 44536079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).