(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one

C24H28N4O2 — CID 15945228

IUPAC(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESCCN(CC)c1ccc(/C=C(\C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-27(4-2)19-11-9-18(10-12-19)17-20(24(29)28-13-15-30-16-14-28)23-25-21-7-5-6-8-22(21)26-23/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,26)/b20-17-
InChIKeyBODARHCUNWDNKY-JZJYNLBNSA-N
MW404.51 g/mol
LogP3.81
Rot. Bonds6

About (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one

(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 15945228) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one
PubChem CID15945228
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESCCN(CC)c1ccc(/C=C(\C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-27(4-2)19-11-9-18(10-12-19)17-20(24(29)28-13-15-30-16-14-28)23-25-21-7-5-6-8-22(21)26-23/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,26)/b20-17-
InChIKeyBODARHCUNWDNKY-JZJYNLBNSA-N
XLogP3.81
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one (CID 15945228) is (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one is CCN(CC)c1ccc(/C=C(\C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is BODARHCUNWDNKY-JZJYNLBNSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-27(4-2)19-11-9-18(10-12-19)17-20(24(29)28-13-15-30-16-14-28)23-25-21-7-5-6-8-22(21)26-23/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,26)/b20-17-.
What are the key properties of (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 404.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(diethylamino)phenyl]-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 15945228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).