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

C18H19N3O2 — CID 724128

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O2/c1-13-6-2-5-9-16(13)23-12-18(22)19-11-10-17-20-14-7-3-4-8-15(14)21-17/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyNTAOUIIDZHRJHI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.61
Rot. Bonds6

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

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide (PubChem CID 724128) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
PubChem CID724128
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O2/c1-13-6-2-5-9-16(13)23-12-18(22)19-11-10-17-20-14-7-3-4-8-15(14)21-17/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyNTAOUIIDZHRJHI-UHFFFAOYSA-N
XLogP2.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.61
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-methylphenoxy)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide (CID 724128) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is NTAOUIIDZHRJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-6-2-5-9-16(13)23-12-18(22)19-11-10-17-20-14-7-3-4-8-15(14)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-(2-methylphenoxy)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.61, 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-methylphenoxy)acetamide is sourced from PubChem (CID 724128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).