3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide

C22H25ClN4O3 — CID 60592788

IUPAC3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C22H25ClN4O3/c1-15(2)5-9-30-21-18(23)11-17(12-19(21)29-3)22(28)26-13-16-4-6-25-20(10-16)27-8-7-24-14-27/h4,6-8,10-12,14-15H,5,9,13H2,1-3H3,(H,26,28)
InChIKeyXLJKZLPRQJKTRY-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.28
Rot. Bonds9

About 3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide

3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 60592788) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID60592788
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C22H25ClN4O3/c1-15(2)5-9-30-21-18(23)11-17(12-19(21)29-3)22(28)26-13-16-4-6-25-20(10-16)27-8-7-24-14-27/h4,6-8,10-12,14-15H,5,9,13H2,1-3H3,(H,26,28)
InChIKeyXLJKZLPRQJKTRY-UHFFFAOYSA-N
XLogP4.28
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide
CID 60526229
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 31288260
3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 18268789
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 38540995
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea
CID 136527613
3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 52792141
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
3-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249590
2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526385
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521138
4-cyclohexyl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526309
3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60606249

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of 3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide (CID 60592788) is 3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for 3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc(Cl)c1OCCC(C)C.
What is the InChIKey of 3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is XLJKZLPRQJKTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-15(2)5-9-30-21-18(23)11-17(12-19(21)29-3)22(28)26-13-16-4-6-25-20(10-16)27-8-7-24-14-27/h4,6-8,10-12,14-15H,5,9,13H2,1-3H3,(H,26,28).
What are the key properties of 3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide?
3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 428.92 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 60592788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).