N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

C22H24ClN3O2 — CID 16969701

IUPACN-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCC(NC(=O)C1CC1)c1nc2ccccc2n1CCCOc1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-15(24-22(27)16-11-12-16)21-25-18-8-3-4-9-19(18)26(21)13-6-14-28-20-10-5-2-7-17(20)23/h2-5,7-10,15-16H,6,11-14H2,1H3,(H,24,27)
InChIKeyLBLRIFPXINXYEZ-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.75
Rot. Bonds8

About N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 16969701) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
PubChem CID16969701
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESCC(NC(=O)C1CC1)c1nc2ccccc2n1CCCOc1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-15(24-22(27)16-11-12-16)21-25-18-8-3-4-9-19(18)26(21)13-6-14-28-20-10-5-2-7-17(20)23/h2-5,7-10,15-16H,6,11-14H2,1H3,(H,24,27)
InChIKeyLBLRIFPXINXYEZ-UHFFFAOYSA-N
XLogP4.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.75
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-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969673
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966746
N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969723
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973237
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970511
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969212
N-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968299
4-bromo-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009417
2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967691
(Z)-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970378
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967222

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (CID 16969701) is N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is CC(NC(=O)C1CC1)c1nc2ccccc2n1CCCOc1ccccc1Cl.
What is the InChIKey of N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is LBLRIFPXINXYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15(24-22(27)16-11-12-16)21-25-18-8-3-4-9-19(18)26(21)13-6-14-28-20-10-5-2-7-17(20)23/h2-5,7-10,15-16H,6,11-14H2,1H3,(H,24,27).
What are the key properties of N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16969701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).