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

C24H29N3O3 — CID 16987105

IUPAC(Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
SMILESC/C=C\C(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1OC
InChIInChI=1S/C24H29N3O3/c1-3-10-24(28)25-16-8-15-23-26-19-11-4-5-12-20(19)27(23)17-9-18-30-22-14-7-6-13-21(22)29-2/h3-7,10-14H,8-9,15-18H2,1-2H3,(H,25,28)/b10-3-
InChIKeyITQDGFLSSXLUSZ-KMKOMSMNSA-N
MW407.51 g/mol
LogP4.14
Rot. Bonds11

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

(Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide (PubChem CID 16987105) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
PubChem CID16987105
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
SMILESC/C=C\C(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1OC
InChIInChI=1S/C24H29N3O3/c1-3-10-24(28)25-16-8-15-23-26-19-11-4-5-12-20(19)27(23)17-9-18-30-22-14-7-6-13-21(22)29-2/h3-7,10-14H,8-9,15-18H2,1-2H3,(H,25,28)/b10-3-
InChIKeyITQDGFLSSXLUSZ-KMKOMSMNSA-N
XLogP4.14
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987132
(Z)-N-[3-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987104
(Z)-N-[3-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]propyl]but-2-enamide
CID 16987123
(E)-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992111
2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16983065
2-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982749
4-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984633
(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-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992075
2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990191
N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888880

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide?
The IUPAC name of (Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide (CID 16987105) is (Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide.
What is the SMILES notation for (Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide?
The canonical SMILES for (Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide is C/C=C\C(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1OC.
What is the InChIKey of (Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide?
The InChIKey is ITQDGFLSSXLUSZ-KMKOMSMNSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-10-24(28)25-16-8-15-23-26-19-11-4-5-12-20(19)27(23)17-9-18-30-22-14-7-6-13-21(22)29-2/h3-7,10-14H,8-9,15-18H2,1-2H3,(H,25,28)/b10-3-.
What are the key properties of (Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide?
(Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide has a molecular weight of 407.51 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide is sourced from PubChem (CID 16987105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).