N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

C26H27N3O2 — CID 16975236

IUPACN-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1nc2ccccc2n1CCCOc1cccc2ccccc12)C1CC1
InChIInChI=1S/C26H27N3O2/c30-26(20-13-14-20)27-16-15-25-28-22-10-3-4-11-23(22)29(25)17-6-18-31-24-12-5-8-19-7-1-2-9-21(19)24/h1-5,7-12,20H,6,13-18H2,(H,27,30)
InChIKeyCEVVUJKGUDCKFO-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.73
Rot. Bonds9

About N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide

N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 16975236) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
PubChem CID16975236
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1nc2ccccc2n1CCCOc1cccc2ccccc12)C1CC1
InChIInChI=1S/C26H27N3O2/c30-26(20-13-14-20)27-16-15-25-28-22-10-3-4-11-23(22)29(25)17-6-18-31-24-12-5-8-19-7-1-2-9-21(19)24/h1-5,7-12,20H,6,13-18H2,(H,27,30)
InChIKeyCEVVUJKGUDCKFO-UHFFFAOYSA-N
XLogP4.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.73
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-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989180
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975083
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980301
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980463
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888795
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16975966
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
3,4-dimethoxy-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976917
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975148
N-[3-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888867
N-[2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975254
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981715

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide (CID 16975236) is N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is O=C(NCCc1nc2ccccc2n1CCCOc1cccc2ccccc12)C1CC1.
What is the InChIKey of N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is CEVVUJKGUDCKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-26(20-13-14-20)27-16-15-25-28-22-10-3-4-11-23(22)29(25)17-6-18-31-24-12-5-8-19-7-1-2-9-21(19)24/h1-5,7-12,20H,6,13-18H2,(H,27,30).
What are the key properties of N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide?
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16975236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).