N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

C24H21ClN4O2 — CID 25254030

IUPACN-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1cc(Cl)c(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C24H21ClN4O2/c1-16-13-21(25)20(23-27-11-12-29(23)2)14-22(16)28-24(30)17-6-8-19(9-7-17)31-15-18-5-3-4-10-26-18/h3-14H,15H2,1-2H3,(H,28,30)
InChIKeyBRZYCGTUHFLYKB-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.28
Rot. Bonds6

About N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 25254030) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID25254030
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC NameN-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1cc(Cl)c(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C24H21ClN4O2/c1-16-13-21(25)20(23-27-11-12-29(23)2)14-22(16)28-24(30)17-6-8-19(9-7-17)31-15-18-5-3-4-10-26-18/h3-14H,15H2,1-2H3,(H,28,30)
InChIKeyBRZYCGTUHFLYKB-UHFFFAOYSA-N
XLogP5.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 25254030) is N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1cc(Cl)c(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is BRZYCGTUHFLYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-16-13-21(25)20(23-27-11-12-29(23)2)14-22(16)28-24(30)17-6-8-19(9-7-17)31-15-18-5-3-4-10-26-18/h3-14H,15H2,1-2H3,(H,28,30).
What are the key properties of N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 432.91 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 25254030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).