N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide

C26H33N3O2 — CID 16981715

IUPACN-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
SMILESCc1cccc(C)c1OCCCCn1c(CCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C26H33N3O2/c1-19-9-7-10-20(2)25(19)31-18-6-5-17-29-23-12-4-3-11-22(23)28-24(29)13-8-16-27-26(30)21-14-15-21/h3-4,7,9-12,21H,5-6,8,13-18H2,1-2H3,(H,27,30)
InChIKeyRYKCYGHLNRWIFQ-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.97
Rot. Bonds11

About N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide

N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide (PubChem CID 16981715) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
PubChem CID16981715
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
SMILESCc1cccc(C)c1OCCCCn1c(CCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C26H33N3O2/c1-19-9-7-10-20(2)25(19)31-18-6-5-17-29-23-12-4-3-11-22(23)28-24(29)13-8-16-27-26(30)21-14-15-21/h3-4,7,9-12,21H,5-6,8,13-18H2,1-2H3,(H,27,30)
InChIKeyRYKCYGHLNRWIFQ-UHFFFAOYSA-N
XLogP4.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.97
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-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
CID 16980760
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981657
N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981724
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981697
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986805
N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980865
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981546
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989213
N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984937
N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988051

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide (CID 16981715) is N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide is Cc1cccc(C)c1OCCCCn1c(CCCNC(=O)C2CC2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The InChIKey is RYKCYGHLNRWIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19-9-7-10-20(2)25(19)31-18-6-5-17-29-23-12-4-3-11-22(23)28-24(29)13-8-16-27-26(30)21-14-15-21/h3-4,7,9-12,21H,5-6,8,13-18H2,1-2H3,(H,27,30).
What are the key properties of N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 16981715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).