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

C23H20N4O3 — CID 112803411

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H20N4O3/c28-21(14-24-22(29)15-30-18-9-2-1-3-10-18)25-17-8-6-7-16(13-17)23-26-19-11-4-5-12-20(19)27-23/h1-13H,14-15H2,(H,24,29)(H,25,28)(H,26,27)
InChIKeyQVXSEPWBAIFWPM-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.36
Rot. Bonds7

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

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 112803411) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID112803411
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H20N4O3/c28-21(14-24-22(29)15-30-18-9-2-1-3-10-18)25-17-8-6-7-16(13-17)23-26-19-11-4-5-12-20(19)27-23/h1-13H,14-15H2,(H,24,29)(H,25,28)(H,26,27)
InChIKeyQVXSEPWBAIFWPM-UHFFFAOYSA-N
XLogP3.36
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide
CID 18283756
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide
CID 2301170
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-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 54858671
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
CID 3131474
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
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
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide (CID 112803411) is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide is O=C(COc1ccccc1)NCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is QVXSEPWBAIFWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-21(14-24-22(29)15-30-18-9-2-1-3-10-18)25-17-8-6-7-16(13-17)23-26-19-11-4-5-12-20(19)27-23/h1-13H,14-15H2,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 400.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 112803411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).