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

C19H21N3O3 — CID 73419906

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O3/c1-12-8-9-16(17(10-12)24-3)25-11-18(23)20-13(2)19-21-14-6-4-5-7-15(14)22-19/h4-10,13H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyRLCCLVMPXYOZBN-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.14
Rot. Bonds6

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

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 73419906) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID73419906
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O3/c1-12-8-9-16(17(10-12)24-3)25-11-18(23)20-13(2)19-21-14-6-4-5-7-15(14)22-19/h4-10,13H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyRLCCLVMPXYOZBN-UHFFFAOYSA-N
XLogP3.14
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 18116309
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 60620296
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 18116440
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 73419908
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromo-4-fluorophenoxy)acetamide
CID 18116332
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[1-(1H-benzimidazol-2-yl)propyl]-2-(2-methoxyphenoxy)acetamide
CID 56824045
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 60592703
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592565
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 73419926

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide (CID 73419906) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is RLCCLVMPXYOZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-8-9-16(17(10-12)24-3)25-11-18(23)20-13(2)19-21-14-6-4-5-7-15(14)22-19/h4-10,13H,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 73419906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).