(E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide

C27H32N4O3 — CID 16992815

IUPAC(E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCCCc1nc2ccccc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C27H32N4O3/c32-26(15-14-22-9-3-1-4-10-22)28-16-8-2-5-13-25-29-23-11-6-7-12-24(23)31(25)21-27(33)30-17-19-34-20-18-30/h1,3-4,6-7,9-12,14-15H,2,5,8,13,16-21H2,(H,28,32)/b15-14+
InChIKeyKCVXNUZCBMFWLV-CCEZHUSRSA-N
MW460.58 g/mol
LogP3.44
Rot. Bonds10

About (E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide

(E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide (PubChem CID 16992815) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is (E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
PubChem CID16992815
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name(E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCCCc1nc2ccccc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C27H32N4O3/c32-26(15-14-22-9-3-1-4-10-22)28-16-8-2-5-13-25-29-23-11-6-7-12-24(23)31(25)21-27(33)30-17-19-34-20-18-30/h1,3-4,6-7,9-12,14-15H,2,5,8,13,16-21H2,(H,28,32)/b15-14+
InChIKeyKCVXNUZCBMFWLV-CCEZHUSRSA-N
XLogP3.44
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.44
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

(E)-N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992812
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992977
(E)-3-phenyl-N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992718
N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982324
(Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 16986215
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989089
(E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992712
(Z)-N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970891
ethyl 2-[2-[3-[[(Z)-3-phenylprop-2-enoyl]amino]propyl]benzimidazol-1-yl]acetate
CID 16986212
(Z)-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 16986199
N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979049
(E)-N-[5-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992701

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide (CID 16992815) is (E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCCCCc1nc2ccccc2n1CC(=O)N1CCOCC1.
What is the InChIKey of (E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide?
The InChIKey is KCVXNUZCBMFWLV-CCEZHUSRSA-N. The full InChI is InChI=1S/C27H32N4O3/c32-26(15-14-22-9-3-1-4-10-22)28-16-8-2-5-13-25-29-23-11-6-7-12-24(23)31(25)21-27(33)30-17-19-34-20-18-30/h1,3-4,6-7,9-12,14-15H,2,5,8,13,16-21H2,(H,28,32)/b15-14+.
What are the key properties of (E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide?
(E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide has a molecular weight of 460.58 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 16992815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).