N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide

C19H21N3O3 — CID 78769748

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H21N3O3/c1-2-11-24-14-7-9-15(10-8-14)25-13-19(23)20-12-18-21-16-5-3-4-6-17(16)22-18/h3-10H,2,11-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyRYMSZUQXHWHQHY-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.05
Rot. Bonds8

About N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide (PubChem CID 78769748) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide
PubChem CID78769748
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H21N3O3/c1-2-11-24-14-7-9-15(10-8-14)25-13-19(23)20-12-18-21-16-5-3-4-6-17(16)22-18/h3-10H,2,11-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyRYMSZUQXHWHQHY-UHFFFAOYSA-N
XLogP3.05
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 21008849
propan-2-yl 4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 21008850
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide
CID 21008977
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(dihydroxyamino)phenoxy]acetamide
CID 59264890
N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide
CID 59018424
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
CID 21008909
ethyl 4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutanoate
CID 78910859
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide (CID 78769748) is N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide is CCCOc1ccc(OCC(=O)NCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide?
The InChIKey is RYMSZUQXHWHQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-11-24-14-7-9-15(10-8-14)25-13-19(23)20-12-18-21-16-5-3-4-6-17(16)22-18/h3-10H,2,11-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide is sourced from PubChem (CID 78769748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).