(Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide

C26H32N4O2 — CID 16987176

IUPAC(Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide
SMILESC/C=C\C(=O)NCCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C26H32N4O2/c1-4-11-25(31)27-17-10-16-24-28-22-14-8-9-15-23(22)30(24)19-26(32)29(20(2)3)18-21-12-6-5-7-13-21/h4-9,11-15,20H,10,16-19H2,1-3H3,(H,27,31)/b11-4-
InChIKeyVBKYKGHYKGRKEE-WCIBSUBMSA-N
MW432.57 g/mol
LogP4.10
Rot. Bonds10

About (Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide

(Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide (PubChem CID 16987176) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide
PubChem CID16987176
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name(Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide
SMILESC/C=C\C(=O)NCCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C26H32N4O2/c1-4-11-25(31)27-17-10-16-24-28-22-14-8-9-15-23(22)30(24)19-26(32)29(20(2)3)18-21-12-6-5-7-13-21/h4-9,11-15,20H,10,16-19H2,1-3H3,(H,27,31)/b11-4-
InChIKeyVBKYKGHYKGRKEE-WCIBSUBMSA-N
XLogP4.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.10
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'}

Analyze (Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide with MolForge

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Related Compounds

(Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 16986216
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985985
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983136
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981601
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3-bromobenzamide
CID 16983452
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-benzyl-N-propan-2-ylacetamide
CID 17006031
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16984078
(E)-N-[5-(1-benzylbenzimidazol-2-yl)pentyl]but-2-enamide
CID 16992042
N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006337
N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977725
N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17006654
N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 16968992

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide?
The IUPAC name of (Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide (CID 16987176) is (Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide.
What is the SMILES notation for (Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide?
The canonical SMILES for (Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide is C/C=C\C(=O)NCCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of (Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide?
The InChIKey is VBKYKGHYKGRKEE-WCIBSUBMSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-11-25(31)27-17-10-16-24-28-22-14-8-9-15-23(22)30(24)19-26(32)29(20(2)3)18-21-12-6-5-7-13-21/h4-9,11-15,20H,10,16-19H2,1-3H3,(H,27,31)/b11-4-.
What are the key properties of (Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide?
(Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide has a molecular weight of 432.57 g/mol, XLogP of 4.10, 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-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]but-2-enamide is sourced from PubChem (CID 16987176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).