N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide

C19H21N3O2 — CID 671013

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H21N3O2/c1-13-9-14(2)11-15(10-13)24-12-19(23)20-8-7-18-21-16-5-3-4-6-17(16)22-18/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyDNGQKSVVWQBBTD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 671013) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
PubChem CID671013
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H21N3O2/c1-13-9-14(2)11-15(10-13)24-12-19(23)20-8-7-18-21-16-5-3-4-6-17(16)22-18/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyDNGQKSVVWQBBTD-UHFFFAOYSA-N
XLogP2.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide (CID 671013) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is DNGQKSVVWQBBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-9-14(2)11-15(10-13)24-12-19(23)20-8-7-18-21-16-5-3-4-6-17(16)22-18/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.92, 6 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-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 671013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).