2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide

C27H31N3O2 — CID 16974766

IUPAC2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1nc2ccccc2n1CCOc1cccc2ccccc12
InChIInChI=1S/C27H31N3O2/c1-3-20(4-2)27(31)28-17-16-26-29-23-13-7-8-14-24(23)30(26)18-19-32-25-15-9-11-21-10-5-6-12-22(21)25/h5-15,20H,3-4,16-19H2,1-2H3,(H,28,31)
InChIKeyADMQZVNXPKXHCA-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.36
Rot. Bonds10

About 2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide

2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16974766) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide
PubChem CID16974766
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1nc2ccccc2n1CCOc1cccc2ccccc12
InChIInChI=1S/C27H31N3O2/c1-3-20(4-2)27(31)28-17-16-26-29-23-13-7-8-14-24(23)30(26)18-19-32-25-15-9-11-21-10-5-6-12-22(21)25/h5-15,20H,3-4,16-19H2,1-2H3,(H,28,31)
InChIKeyADMQZVNXPKXHCA-UHFFFAOYSA-N
XLogP5.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974742
2,2-dimethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 6490606
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974769
2-ethyl-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974759
2-ethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981004
N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005950
2-ethyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006400
N-[2-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974762
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16975966
2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide
CID 16981462
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980463
2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982739

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide (CID 16974766) is 2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide is CCC(CC)C(=O)NCCc1nc2ccccc2n1CCOc1cccc2ccccc12.
What is the InChIKey of 2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is ADMQZVNXPKXHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-3-20(4-2)27(31)28-17-16-26-29-23-13-7-8-14-24(23)30(26)18-19-32-25-15-9-11-21-10-5-6-12-22(21)25/h5-15,20H,3-4,16-19H2,1-2H3,(H,28,31).
What are the key properties of 2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide?
2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 429.56 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16974766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).