3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide

C20H21BrN4O3 — CID 60526229

IUPAC3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc1OC
InChIInChI=1S/C20H21BrN4O3/c1-3-8-28-19-16(21)10-15(11-17(19)27-2)20(26)24-12-14-4-5-23-18(9-14)25-7-6-22-13-25/h4-7,9-11,13H,3,8,12H2,1-2H3,(H,24,26)
InChIKeyPRIVYTXOYYRDOK-UHFFFAOYSA-N
MW445.32 g/mol
LogP3.76
Rot. Bonds8

About 3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide

3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide (PubChem CID 60526229) has the molecular formula C20H21BrN4O3 and a molecular weight of 445.32 g/mol. Its IUPAC name is 3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide
PubChem CID60526229
Molecular FormulaC20H21BrN4O3
Molecular Weight445.32 g/mol
Exact Mass444.08
IUPAC Name3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc1OC
InChIInChI=1S/C20H21BrN4O3/c1-3-8-28-19-16(21)10-15(11-17(19)27-2)20(26)24-12-14-4-5-23-18(9-14)25-7-6-22-13-25/h4-7,9-11,13H,3,8,12H2,1-2H3,(H,24,26)
InChIKeyPRIVYTXOYYRDOK-UHFFFAOYSA-N
XLogP3.76
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60592788
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide
CID 55717157
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 8869293
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-2-methyl-1-propylindole-3-carboxamide
CID 86851018
3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55812552
N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47068369
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide (CID 60526229) is 3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc1OC.
What is the InChIKey of 3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide?
The InChIKey is PRIVYTXOYYRDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O3/c1-3-8-28-19-16(21)10-15(11-17(19)27-2)20(26)24-12-14-4-5-23-18(9-14)25-7-6-22-13-25/h4-7,9-11,13H,3,8,12H2,1-2H3,(H,24,26).
What are the key properties of 3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide?
3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide has a molecular weight of 445.32 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 60526229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).