N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide

C25H23ClN4O2 — CID 141233592

IUPACN-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1cc(Cl)c(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C25H23ClN4O2/c1-16-12-22(26)21(24-14-30(3)17(2)28-24)13-23(16)29-25(31)18-7-9-20(10-8-18)32-15-19-6-4-5-11-27-19/h4-14H,15H2,1-3H3,(H,29,31)
InChIKeyXGZCHLTVRTXDAK-UHFFFAOYSA-N
MW446.94 g/mol
LogP5.58
Rot. Bonds6

About N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 141233592) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID141233592
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC NameN-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1cc(Cl)c(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C25H23ClN4O2/c1-16-12-22(26)21(24-14-30(3)17(2)28-24)13-23(16)29-25(31)18-7-9-20(10-8-18)32-15-19-6-4-5-11-27-19/h4-14H,15H2,1-3H3,(H,29,31)
InChIKeyXGZCHLTVRTXDAK-UHFFFAOYSA-N
XLogP5.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 141233592) is N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1cc(Cl)c(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is XGZCHLTVRTXDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-16-12-22(26)21(24-14-30(3)17(2)28-24)13-23(16)29-25(31)18-7-9-20(10-8-18)32-15-19-6-4-5-11-27-19/h4-14H,15H2,1-3H3,(H,29,31).
What are the key properties of N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 446.94 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 141233592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).