N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide

C20H23N3O2 — CID 40716506

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-16-22-18-10-5-6-11-19(18)23(16)14-13-21-20(24)12-7-15-25-17-8-3-2-4-9-17/h2-6,8-11H,7,12-15H2,1H3,(H,21,24)
InChIKeyHZKWBHKZKIXOFT-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.32
Rot. Bonds8

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide (PubChem CID 40716506) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
PubChem CID40716506
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-16-22-18-10-5-6-11-19(18)23(16)14-13-21-20(24)12-7-15-25-17-8-3-2-4-9-17/h2-6,8-11H,7,12-15H2,1H3,(H,21,24)
InChIKeyHZKWBHKZKIXOFT-UHFFFAOYSA-N
XLogP3.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 51190450
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24583706
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 110396282
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 112767743
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18120811
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
3-(4-chlorophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716505
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide (CID 40716506) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide is Cc1nc2ccccc2n1CCNC(=O)CCCOc1ccccc1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide?
The InChIKey is HZKWBHKZKIXOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-16-22-18-10-5-6-11-19(18)23(16)14-13-21-20(24)12-7-15-25-17-8-3-2-4-9-17/h2-6,8-11H,7,12-15H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide has a molecular weight of 337.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 40716506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).