N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide

C21H16BrN3O2 — CID 18283756

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide
SMILESO=C(COc1cccc(Br)c1)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H16BrN3O2/c22-15-6-4-8-17(12-15)27-13-20(26)23-16-7-3-5-14(11-16)21-24-18-9-1-2-10-19(18)25-21/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeySLXYIZZISKFWEK-UHFFFAOYSA-N
MW422.28 g/mol
LogP5.01
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide (PubChem CID 18283756) has the molecular formula C21H16BrN3O2 and a molecular weight of 422.28 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide
PubChem CID18283756
Molecular FormulaC21H16BrN3O2
Molecular Weight422.28 g/mol
Exact Mass421.04
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide
SMILESO=C(COc1cccc(Br)c1)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H16BrN3O2/c22-15-6-4-8-17(12-15)27-13-20(26)23-16-7-3-5-14(11-16)21-24-18-9-1-2-10-19(18)25-21/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeySLXYIZZISKFWEK-UHFFFAOYSA-N
XLogP5.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.28
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide
CID 2301170
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 112803411
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 15994533
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 134041001
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586804
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide
CID 63565380
N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 54858671

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide (CID 18283756) is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide is O=C(COc1cccc(Br)c1)Nc1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide?
The InChIKey is SLXYIZZISKFWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O2/c22-15-6-4-8-17(12-15)27-13-20(26)23-16-7-3-5-14(11-16)21-24-18-9-1-2-10-19(18)25-21/h1-12H,13H2,(H,23,26)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide has a molecular weight of 422.28 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide is sourced from PubChem (CID 18283756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).