N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide

C22H19N3O2 — CID 20703880

IUPACN-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(Cc3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C22H19N3O2/c1-15(26)23-17-9-12-20-21(14-17)25-22(24-20)13-16-7-10-19(11-8-16)27-18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyRCOPFJSNIYGOMZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.90
Rot. Bonds5

About N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide

N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide (PubChem CID 20703880) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide
PubChem CID20703880
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(Cc3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C22H19N3O2/c1-15(26)23-17-9-12-20-21(14-17)25-22(24-20)13-16-7-10-19(11-8-16)27-18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyRCOPFJSNIYGOMZ-UHFFFAOYSA-N
XLogP4.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide (CID 20703880) is N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide is CC(=O)Nc1ccc2nc(Cc3ccc(Oc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide?
The InChIKey is RCOPFJSNIYGOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15(26)23-17-9-12-20-21(14-17)25-22(24-20)13-16-7-10-19(11-8-16)27-18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide?
N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 20703880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).