2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide

C23H25ClN4O2 — CID 90370556

IUPAC2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCCO/C=C\c1ccc(-c2cn(CC(=O)NC(C)C)c(-c3cccc(Cl)c3)n2)cn1
InChIInChI=1S/C23H25ClN4O2/c1-4-30-11-10-20-9-8-18(13-25-20)21-14-28(15-22(29)26-16(2)3)23(27-21)17-6-5-7-19(24)12-17/h5-14,16H,4,15H2,1-3H3,(H,26,29)/b11-10-
InChIKeyIHEXDJNNXMVGRD-KHPPLWFESA-N
MW424.93 g/mol
LogP4.80
Rot. Bonds8

About 2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide

2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 90370556) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID90370556
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCCO/C=C\c1ccc(-c2cn(CC(=O)NC(C)C)c(-c3cccc(Cl)c3)n2)cn1
InChIInChI=1S/C23H25ClN4O2/c1-4-30-11-10-20-9-8-18(13-25-20)21-14-28(15-22(29)26-16(2)3)23(27-21)17-6-5-7-19(24)12-17/h5-14,16H,4,15H2,1-3H3,(H,26,29)/b11-10-
InChIKeyIHEXDJNNXMVGRD-KHPPLWFESA-N
XLogP4.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide (CID 90370556) is 2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide is CCO/C=C\c1ccc(-c2cn(CC(=O)NC(C)C)c(-c3cccc(Cl)c3)n2)cn1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is IHEXDJNNXMVGRD-KHPPLWFESA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-4-30-11-10-20-9-8-18(13-25-20)21-14-28(15-22(29)26-16(2)3)23(27-21)17-6-5-7-19(24)12-17/h5-14,16H,4,15H2,1-3H3,(H,26,29)/b11-10-.
What are the key properties of 2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 424.93 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).