N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide

C20H23N3O2 — CID 4917285

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H23N3O2/c1-2-3-14-25-16-10-8-15(9-11-16)20(24)21-13-12-19-22-17-6-4-5-7-18(17)23-19/h4-11H,2-3,12-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyOREPYKKARUREGE-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.71
Rot. Bonds8

About N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide (PubChem CID 4917285) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
PubChem CID4917285
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H23N3O2/c1-2-3-14-25-16-10-8-15(9-11-16)20(24)21-13-12-19-22-17-6-4-5-7-18(17)23-19/h4-11H,2-3,12-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyOREPYKKARUREGE-UHFFFAOYSA-N
XLogP3.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.71
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]-3-propoxybenzamide
CID 21008909
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 27161540
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide
CID 110499895
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide
CID 50789489
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide (CID 4917285) is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide is CCCCOc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide?
The InChIKey is OREPYKKARUREGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-3-14-25-16-10-8-15(9-11-16)20(24)21-13-12-19-22-17-6-4-5-7-18(17)23-19/h4-11H,2-3,12-14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide has a molecular weight of 337.42 g/mol, XLogP of 3.71, 8 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]-4-butoxybenzamide is sourced from PubChem (CID 4917285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).