N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide

C23H20BrN3O3 — CID 17031923

IUPACN-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C23H20BrN3O3/c1-29-20-11-4-5-12-21(20)30-15-22-26-18-9-2-3-10-19(18)27(22)14-23(28)25-17-8-6-7-16(24)13-17/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyHLGPHTJYCKDPSO-UHFFFAOYSA-N
MW466.34 g/mol
LogP5.03
Rot. Bonds7

About N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide

N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide (PubChem CID 17031923) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide
PubChem CID17031923
Molecular FormulaC23H20BrN3O3
Molecular Weight466.34 g/mol
Exact Mass465.07
IUPAC NameN-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCOc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C23H20BrN3O3/c1-29-20-11-4-5-12-21(20)30-15-22-26-18-9-2-3-10-19(18)27(22)14-23(28)25-17-8-6-7-16(24)13-17/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyHLGPHTJYCKDPSO-UHFFFAOYSA-N
XLogP5.03
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.34
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17031925
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 40723945
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55886959
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032268
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
N-(2-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032255
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 17031904
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 17028829

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide (CID 17031923) is N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide is COc1ccccc1OCc1nc2ccccc2n1CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is HLGPHTJYCKDPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c1-29-20-11-4-5-12-21(20)30-15-22-26-18-9-2-3-10-19(18)27(22)14-23(28)25-17-8-6-7-16(24)13-17/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide?
N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 466.34 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17031923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).