N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide

C19H21N3O2 — CID 718555

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O2/c1-13-6-5-7-14(2)19(13)24-12-18(23)20-11-10-17-21-15-8-3-4-9-16(15)22-17/h3-9H,10-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNFASPNPYMDEAHF-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 718555) 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-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
PubChem CID718555
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O2/c1-13-6-5-7-14(2)19(13)24-12-18(23)20-11-10-17-21-15-8-3-4-9-16(15)22-17/h3-9H,10-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNFASPNPYMDEAHF-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-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide (CID 718555) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is NFASPNPYMDEAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-6-5-7-14(2)19(13)24-12-18(23)20-11-10-17-21-15-8-3-4-9-16(15)22-17/h3-9H,10-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-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-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 718555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).