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

C12H15N3O2 — CID 3237629

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-8(13-11(16)7-17-2)12-14-9-5-3-4-6-10(9)15-12/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyPJVYEPKTCPHMAN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.39
Rot. Bonds4

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

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide (PubChem CID 3237629) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
PubChem CID3237629
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-8(13-11(16)7-17-2)12-14-9-5-3-4-6-10(9)15-12/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyPJVYEPKTCPHMAN-UHFFFAOYSA-N
XLogP1.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 73419908
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 43889769
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 73419906
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 60592703
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 43890057
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592565

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide (CID 3237629) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide is COCC(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide?
The InChIKey is PJVYEPKTCPHMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(13-11(16)7-17-2)12-14-9-5-3-4-6-10(9)15-12/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide has a molecular weight of 233.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide is sourced from PubChem (CID 3237629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).