N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide

C18H19N3O3 — CID 19167078

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19N3O3/c1-23-13-6-8-14(9-7-13)24-12-18(22)19-11-10-17-20-15-4-2-3-5-16(15)21-17/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyJAGACBURBOSUMB-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.31
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 19167078) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID19167078
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19N3O3/c1-23-13-6-8-14(9-7-13)24-12-18(22)19-11-10-17-20-15-4-2-3-5-16(15)21-17/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyJAGACBURBOSUMB-UHFFFAOYSA-N
XLogP2.31
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trifluorophenoxy)acetamide
CID 59018354
methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
CID 21008986
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 59018258
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 707834
N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide
CID 78769748
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 13196132
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18137274

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide (CID 19167078) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is JAGACBURBOSUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-13-6-8-14(9-7-13)24-12-18(22)19-11-10-17-20-15-4-2-3-5-16(15)21-17/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 19167078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).