2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide

C22H19BrN4O2 — CID 55687355

IUPAC2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCn1c(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C22H19BrN4O2/c1-2-27-19-8-4-3-7-18(19)26-20(27)14-25-21(28)17-6-5-13-24-22(17)29-16-11-9-15(23)10-12-16/h3-13H,2,14H2,1H3,(H,25,28)
InChIKeyVCNQKTGSMBCFBG-UHFFFAOYSA-N
MW451.32 g/mol
LogP4.94
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide

2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 55687355) has the molecular formula C22H19BrN4O2 and a molecular weight of 451.32 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID55687355
Molecular FormulaC22H19BrN4O2
Molecular Weight451.32 g/mol
Exact Mass450.07
IUPAC Name2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCn1c(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C22H19BrN4O2/c1-2-27-19-8-4-3-7-18(19)26-20(27)14-25-21(28)17-6-5-13-24-22(17)29-16-11-9-15(23)10-12-16/h3-13H,2,14H2,1H3,(H,25,28)
InChIKeyVCNQKTGSMBCFBG-UHFFFAOYSA-N
XLogP4.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenoxy)-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 56576360
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17009267
N-(1-ethylbenzimidazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 43053714
4-bromo-N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009209
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 24532369
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
4-bromo-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009197
N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006840
4-bromo-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 17009142
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 17007570

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 55687355) is 2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide is CCn1c(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is VCNQKTGSMBCFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O2/c1-2-27-19-8-4-3-7-18(19)26-20(27)14-25-21(28)17-6-5-13-24-22(17)29-16-11-9-15(23)10-12-16/h3-13H,2,14H2,1H3,(H,25,28).
What are the key properties of 2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 451.32 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55687355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).