N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide

C26H26ClN3O — CID 42658273

IUPACN-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide
SMILESCCCCCCc1ccc(C(=O)Nc2ccc(-c3cn4cc(Cl)ccc4n3)cc2)cc1
InChIInChI=1S/C26H26ClN3O/c1-2-3-4-5-6-19-7-9-21(10-8-19)26(31)28-23-14-11-20(12-15-23)24-18-30-17-22(27)13-16-25(30)29-24/h7-18H,2-6H2,1H3,(H,28,31)
InChIKeyLVDDRIZPDJLVJM-UHFFFAOYSA-N
MW431.97 g/mol
LogP7.03
Rot. Bonds8

About N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide

N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide (PubChem CID 42658273) has the molecular formula C26H26ClN3O and a molecular weight of 431.97 g/mol. Its IUPAC name is N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide.

Molecular Properties

Compound NameN-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide
PubChem CID42658273
Molecular FormulaC26H26ClN3O
Molecular Weight431.97 g/mol
Exact Mass431.18
IUPAC NameN-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide
SMILESCCCCCCc1ccc(C(=O)Nc2ccc(-c3cn4cc(Cl)ccc4n3)cc2)cc1
InChIInChI=1S/C26H26ClN3O/c1-2-3-4-5-6-19-7-9-21(10-8-19)26(31)28-23-14-11-20(12-15-23)24-18-30-17-22(27)13-16-25(30)29-24/h7-18H,2-6H2,1H3,(H,28,31)
InChIKeyLVDDRIZPDJLVJM-UHFFFAOYSA-N
XLogP7.03
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 42737491
2-(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 69410874
N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-methoxyacetamide
CID 42737495
N-[3-(6-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-4-butylbenzamide
CID 42737411
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
4-(dimethylamino)-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 45137441
N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide
CID 140904471
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 3324314
4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene
CID 142028227
N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 11304509
N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-cyclopentylpropanamide
CID 42737487

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide?
The IUPAC name of N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide (CID 42658273) is N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide.
What is the SMILES notation for N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide?
The canonical SMILES for N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide is CCCCCCc1ccc(C(=O)Nc2ccc(-c3cn4cc(Cl)ccc4n3)cc2)cc1.
What is the InChIKey of N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide?
The InChIKey is LVDDRIZPDJLVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O/c1-2-3-4-5-6-19-7-9-21(10-8-19)26(31)28-23-14-11-20(12-15-23)24-18-30-17-22(27)13-16-25(30)29-24/h7-18H,2-6H2,1H3,(H,28,31).
What are the key properties of N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide?
N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide has a molecular weight of 431.97 g/mol, XLogP of 7.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide is sourced from PubChem (CID 42658273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).