N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide

C24H25N3O2S — CID 16973816

IUPACN-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(OCCCn2c(CNC(=O)c3cccs3)nc3ccccc32)cc1C
InChIInChI=1S/C24H25N3O2S/c1-17-10-11-19(15-18(17)2)29-13-6-12-27-21-8-4-3-7-20(21)26-23(27)16-25-24(28)22-9-5-14-30-22/h3-5,7-11,14-15H,6,12-13,16H2,1-2H3,(H,25,28)
InChIKeyKSOZQDIKLJCHNM-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.11
Rot. Bonds8

About N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide

N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 16973816) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
PubChem CID16973816
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(OCCCn2c(CNC(=O)c3cccs3)nc3ccccc32)cc1C
InChIInChI=1S/C24H25N3O2S/c1-17-10-11-19(15-18(17)2)29-13-6-12-27-21-8-4-3-7-20(21)26-23(27)16-25-24(28)22-9-5-14-30-22/h3-5,7-11,14-15H,6,12-13,16H2,1-2H3,(H,25,28)
InChIKeyKSOZQDIKLJCHNM-UHFFFAOYSA-N
XLogP5.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.11
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-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973840
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973845
N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973793
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965643
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007029
N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975660
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982120
N-[[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969570
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
N-[5-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994935

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (CID 16973816) is N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide is Cc1ccc(OCCCn2c(CNC(=O)c3cccs3)nc3ccccc32)cc1C.
What is the InChIKey of N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is KSOZQDIKLJCHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-17-10-11-19(15-18(17)2)29-13-6-12-27-21-8-4-3-7-20(21)26-23(27)16-25-24(28)22-9-5-14-30-22/h3-5,7-11,14-15H,6,12-13,16H2,1-2H3,(H,25,28).
What are the key properties of N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16973816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).