N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide

C24H25N3O3S — CID 16973840

IUPACN-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESCOc1cccc(OCCCCn2c(CNC(=O)c3cccs3)nc3ccccc32)c1
InChIInChI=1S/C24H25N3O3S/c1-29-18-8-6-9-19(16-18)30-14-5-4-13-27-21-11-3-2-10-20(21)26-23(27)17-25-24(28)22-12-7-15-31-22/h2-3,6-12,15-16H,4-5,13-14,17H2,1H3,(H,25,28)
InChIKeyCJGUICWTURUWIC-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.90
Rot. Bonds10

About N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide

N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 16973840) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
PubChem CID16973840
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESCOc1cccc(OCCCCn2c(CNC(=O)c3cccs3)nc3ccccc32)c1
InChIInChI=1S/C24H25N3O3S/c1-29-18-8-6-9-19(16-18)30-14-5-4-13-27-21-11-3-2-10-20(21)26-23(27)17-25-24(28)22-12-7-15-31-22/h2-3,6-12,15-16H,4-5,13-14,17H2,1H3,(H,25,28)
InChIKeyCJGUICWTURUWIC-UHFFFAOYSA-N
XLogP4.90
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973816
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973845
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006891
3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008633
N-[2-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975675
N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982149
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973758
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982120
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-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (CID 16973840) is N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide is COc1cccc(OCCCCn2c(CNC(=O)c3cccs3)nc3ccccc32)c1.
What is the InChIKey of N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is CJGUICWTURUWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-29-18-8-6-9-19(16-18)30-14-5-4-13-27-21-11-3-2-10-20(21)26-23(27)17-25-24(28)22-12-7-15-31-22/h2-3,6-12,15-16H,4-5,13-14,17H2,1H3,(H,25,28).
What are the key properties of N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16973840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).