N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide

C16H23N3O2 — CID 16974362

IUPACN-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCCOCCn1c(CCNC(=O)CC)nc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-3-16(20)17-10-9-15-18-13-7-5-6-8-14(13)19(15)11-12-21-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,17,20)
InChIKeyLIEGCQLZLLSMBW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.14
Rot. Bonds8

About N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide

N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide (PubChem CID 16974362) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide
PubChem CID16974362
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCCOCCn1c(CCNC(=O)CC)nc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-3-16(20)17-10-9-15-18-13-7-5-6-8-14(13)19(15)11-12-21-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,17,20)
InChIKeyLIEGCQLZLLSMBW-UHFFFAOYSA-N
XLogP2.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.14
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-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976156
4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977559
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974334
N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974316
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988030
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16974588
N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974358
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974426
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980720
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide (CID 16974362) is N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide is CCOCCn1c(CCNC(=O)CC)nc2ccccc21.
What is the InChIKey of N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is LIEGCQLZLLSMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-16(20)17-10-9-15-18-13-7-5-6-8-14(13)19(15)11-12-21-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide?
N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 289.38 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 16974362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).