(E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide

C23H26N4O2 — CID 53363796

IUPAC(E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESCN(C)CCn1c(C2CC2c2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C23H26N4O2/c1-26(2)12-13-27-21-10-8-16(9-11-22(28)25-29)14-20(21)24-23(27)19-15-18(19)17-6-4-3-5-7-17/h3-11,14,18-19,29H,12-13,15H2,1-2H3,(H,25,28)/b11-9+
InChIKeyKKLRZFCXMVBPRB-PKNBQFBNSA-N
MW390.49 g/mol
LogP3.39
Rot. Bonds7

About (E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 53363796) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID53363796
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESCN(C)CCn1c(C2CC2c2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C23H26N4O2/c1-26(2)12-13-27-21-10-8-16(9-11-22(28)25-29)14-20(21)24-23(27)19-15-18(19)17-6-4-3-5-7-17/h3-11,14,18-19,29H,12-13,15H2,1-2H3,(H,25,28)/b11-9+
InChIKeyKKLRZFCXMVBPRB-PKNBQFBNSA-N
XLogP3.39
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide (CID 53363796) is (E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide is CN(C)CCn1c(C2CC2c2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21.
What is the InChIKey of (E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is KKLRZFCXMVBPRB-PKNBQFBNSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-26(2)12-13-27-21-10-8-16(9-11-22(28)25-29)14-20(21)24-23(27)19-15-18(19)17-6-4-3-5-7-17/h3-11,14,18-19,29H,12-13,15H2,1-2H3,(H,25,28)/b11-9+.
What are the key properties of (E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 390.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 53363796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).