N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide

C20H23N3O2 — CID 707834

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H23N3O2/c1-14(2)15-7-3-6-10-18(15)25-13-20(24)21-12-11-19-22-16-8-4-5-9-17(16)23-19/h3-10,14H,11-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyITHRZSHREWWOOC-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.42
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 707834) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID707834
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H23N3O2/c1-14(2)15-7-3-6-10-18(15)25-13-20(24)21-12-11-19-22-16-8-4-5-9-17(16)23-19/h3-10,14H,11-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyITHRZSHREWWOOC-UHFFFAOYSA-N
XLogP3.42
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
CID 21008986
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 102604001
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 37218639
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500313
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide
CID 21008977
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(dihydroxyamino)phenoxy]acetamide
CID 59264890

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide (CID 707834) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is ITHRZSHREWWOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)15-7-3-6-10-18(15)25-13-20(24)21-12-11-19-22-16-8-4-5-9-17(16)23-19/h3-10,14H,11-13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 707834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).