N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide

C25H27N3O2S — CID 16973845

IUPACN-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESCCc1ccc(OCCCCn2c(CNC(=O)c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C25H27N3O2S/c1-2-19-11-13-20(14-12-19)30-16-6-5-15-28-22-9-4-3-8-21(22)27-24(28)18-26-25(29)23-10-7-17-31-23/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3,(H,26,29)
InChIKeyZSIHOAHGKZEJSW-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.45
Rot. Bonds10

About N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide

N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 16973845) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
PubChem CID16973845
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESCCc1ccc(OCCCCn2c(CNC(=O)c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C25H27N3O2S/c1-2-19-11-13-20(14-12-19)30-16-6-5-15-28-22-9-4-3-8-21(22)27-24(28)18-26-25(29)23-10-7-17-31-23/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3,(H,26,29)
InChIKeyZSIHOAHGKZEJSW-UHFFFAOYSA-N
XLogP5.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973825
N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973793
N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994844
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973816
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973840
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969576
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007688
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966597
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973758
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007826
N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006840
N-[[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973835

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (CID 16973845) is N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide is CCc1ccc(OCCCCn2c(CNC(=O)c3cccs3)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ZSIHOAHGKZEJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-2-19-11-13-20(14-12-19)30-16-6-5-15-28-22-9-4-3-8-21(22)27-24(28)18-26-25(29)23-10-7-17-31-23/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3,(H,26,29).
What are the key properties of N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16973845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).