N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide

C25H31N3O2 — CID 16981697

IUPACN-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
SMILESCc1cc(C)cc(OCCCn2c(CCCNC(=O)C3CC3)nc3ccccc32)c1
InChIInChI=1S/C25H31N3O2/c1-18-15-19(2)17-21(16-18)30-14-6-13-28-23-8-4-3-7-22(23)27-24(28)9-5-12-26-25(29)20-10-11-20/h3-4,7-8,15-17,20H,5-6,9-14H2,1-2H3,(H,26,29)
InChIKeySVMBMGDOYPEHAO-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.58
Rot. Bonds10

About N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide

N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide (PubChem CID 16981697) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
PubChem CID16981697
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
SMILESCc1cc(C)cc(OCCCn2c(CCCNC(=O)C3CC3)nc3ccccc32)c1
InChIInChI=1S/C25H31N3O2/c1-18-15-19(2)17-21(16-18)30-14-6-13-28-23-8-4-3-7-22(23)27-24(28)9-5-12-26-25(29)20-10-11-20/h3-4,7-8,15-17,20H,5-6,9-14H2,1-2H3,(H,26,29)
InChIKeySVMBMGDOYPEHAO-UHFFFAOYSA-N
XLogP4.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.58
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

N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981724
N-[2-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888801
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981475
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981715
N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987900
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981657
N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989225
N-[3-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-methoxyacetamide
CID 16981368
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989213
N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988872

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide (CID 16981697) is N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide is Cc1cc(C)cc(OCCCn2c(CCCNC(=O)C3CC3)nc3ccccc32)c1.
What is the InChIKey of N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The InChIKey is SVMBMGDOYPEHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18-15-19(2)17-21(16-18)30-14-6-13-28-23-8-4-3-7-22(23)27-24(28)9-5-12-26-25(29)20-10-11-20/h3-4,7-8,15-17,20H,5-6,9-14H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 16981697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).