(Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide

C27H29N3O2 — CID 16987123

IUPAC(Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide
SMILESC/C=C\C(=O)NCCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1
InChIInChI=1S/C27H29N3O2/c1-2-9-27(31)28-17-7-14-26-29-24-12-5-6-13-25(24)30(26)18-8-19-32-23-16-15-21-10-3-4-11-22(21)20-23/h2-6,9-13,15-16,20H,7-8,14,17-19H2,1H3,(H,28,31)/b9-2-
InChIKeyUWYHQOLYNABZIL-MBXJOHMKSA-N
MW427.55 g/mol
LogP5.28
Rot. Bonds10

About (Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide

(Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide (PubChem CID 16987123) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is (Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide
PubChem CID16987123
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name(Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide
SMILESC/C=C\C(=O)NCCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1
InChIInChI=1S/C27H29N3O2/c1-2-9-27(31)28-17-7-14-26-29-24-12-5-6-13-25(24)30(26)18-8-19-32-23-16-15-21-10-3-4-11-22(21)20-23/h2-6,9-13,15-16,20H,7-8,14,17-19H2,1H3,(H,28,31)/b9-2-
InChIKeyUWYHQOLYNABZIL-MBXJOHMKSA-N
XLogP5.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[3-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987113
(E)-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992118
(E)-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992111
(Z)-N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987142
(Z)-N-[3-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987180
(Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987105
(E)-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992146
(E)-N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]but-2-enamide
CID 16980141
(Z)-N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987132
2-methyl-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980464
(Z)-N-[3-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987104
2-(2-methylphenyl)-N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993582

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide?
The IUPAC name of (Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide (CID 16987123) is (Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide.
What is the SMILES notation for (Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide?
The canonical SMILES for (Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide is C/C=C\C(=O)NCCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1.
What is the InChIKey of (Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide?
The InChIKey is UWYHQOLYNABZIL-MBXJOHMKSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-2-9-27(31)28-17-7-14-26-29-24-12-5-6-13-25(24)30(26)18-8-19-32-23-16-15-21-10-3-4-11-22(21)20-23/h2-6,9-13,15-16,20H,7-8,14,17-19H2,1H3,(H,28,31)/b9-2-.
What are the key properties of (Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide?
(Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide has a molecular weight of 427.55 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide is sourced from PubChem (CID 16987123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).