N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide

C20H23N3O2 — CID 46601910

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NC(C)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H23N3O2/c1-14-7-5-8-16(13-14)25-12-6-11-19(24)21-15(2)20-22-17-9-3-4-10-18(17)23-20/h3-5,7-10,13,15H,6,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyZOOIORIKCMVXBP-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.91
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide (PubChem CID 46601910) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide
PubChem CID46601910
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NC(C)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H23N3O2/c1-14-7-5-8-16(13-14)25-12-6-11-19(24)21-15(2)20-22-17-9-3-4-10-18(17)23-20/h3-5,7-10,13,15H,6,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyZOOIORIKCMVXBP-UHFFFAOYSA-N
XLogP3.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
CID 2472289
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 18121491
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 73420210
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-(2-methoxy-4-methylphenoxy)acetamide
CID 73419906
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 18116309
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163
4-(3-methylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247748
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide (CID 46601910) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)NC(C)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide?
The InChIKey is ZOOIORIKCMVXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-7-5-8-16(13-14)25-12-6-11-19(24)21-15(2)20-22-17-9-3-4-10-18(17)23-20/h3-5,7-10,13,15H,6,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide has a molecular weight of 337.42 g/mol, XLogP of 3.91, 7 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]-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 46601910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).