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

C23H21N3O2 — CID 2301170

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C23H21N3O2/c1-2-16-7-5-10-19(13-16)28-15-22(27)24-18-9-6-8-17(14-18)23-25-20-11-3-4-12-21(20)26-23/h3-14H,2,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyKXAFSWAHVZMXGW-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.81
Rot. Bonds6

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

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide (PubChem CID 2301170) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide
PubChem CID2301170
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C23H21N3O2/c1-2-16-7-5-10-19(13-16)28-15-22(27)24-18-9-6-8-17(14-18)23-25-20-11-3-4-12-21(20)26-23/h3-14H,2,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyKXAFSWAHVZMXGW-UHFFFAOYSA-N
XLogP4.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 15994533
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 112803411
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 134041001
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586804
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide (CID 2301170) is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide is CCc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide?
The InChIKey is KXAFSWAHVZMXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-16-7-5-10-19(13-16)28-15-22(27)24-18-9-6-8-17(14-18)23-25-20-11-3-4-12-21(20)26-23/h3-14H,2,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide has a molecular weight of 371.44 g/mol, XLogP of 4.81, 6 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-ethylphenoxy)acetamide is sourced from PubChem (CID 2301170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).