N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide

C20H23N3O2 — CID 134032853

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H23N3O2/c1-14-7-5-8-16(13-14)25-15(2)20(24)21-12-6-11-19-22-17-9-3-4-10-18(17)23-19/h3-5,7-10,13,15H,6,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyACSFXJMRVPUZFS-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.39
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide (PubChem CID 134032853) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide
PubChem CID134032853
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H23N3O2/c1-14-7-5-8-16(13-14)25-15(2)20(24)21-12-6-11-19-22-17-9-3-4-10-18(17)23-19/h3-5,7-10,13,15H,6,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyACSFXJMRVPUZFS-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 71910177
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
1-[3-(1H-benzimidazol-2-yl)propyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine;hydroiodide
CID 111659069
2-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669473
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111678961
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-[(2R)-2-(3-methylphenoxy)propanoyl]benzohydrazide
CID 2513761
N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 34708595

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide (CID 134032853) is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NCCCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is ACSFXJMRVPUZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-7-5-8-16(13-14)25-15(2)20(24)21-12-6-11-19-22-17-9-3-4-10-18(17)23-19/h3-5,7-10,13,15H,6,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 134032853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).