N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide

C22H26N6O2 — CID 174353382

IUPACN-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide
SMILES[H]/N=C(/c1ccnc(-n2ccnc2)n1)C(CC)C(=O)NCCc1ccc(OCC)cc1
InChIInChI=1S/C22H26N6O2/c1-3-18(20(23)19-10-12-26-22(27-19)28-14-13-24-15-28)21(29)25-11-9-16-5-7-17(8-6-16)30-4-2/h5-8,10,12-15,18,23H,3-4,9,11H2,1-2H3,(H,25,29)/b23-20+
InChIKeyFDUXDDPVBUWYOR-BSYVCWPDSA-N
MW406.49 g/mol
LogP2.81
Rot. Bonds10

About N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide

N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide (PubChem CID 174353382) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide
PubChem CID174353382
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide
SMILES[H]/N=C(/c1ccnc(-n2ccnc2)n1)C(CC)C(=O)NCCc1ccc(OCC)cc1
InChIInChI=1S/C22H26N6O2/c1-3-18(20(23)19-10-12-26-22(27-19)28-14-13-24-15-28)21(29)25-11-9-16-5-7-17(8-6-16)30-4-2/h5-8,10,12-15,18,23H,3-4,9,11H2,1-2H3,(H,25,29)/b23-20+
InChIKeyFDUXDDPVBUWYOR-BSYVCWPDSA-N
XLogP2.81
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-ylpyrimidine-4-carboxamide
CID 141444759
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242371
N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
CID 110788101
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
4-ethoxy-N-(2-pyridin-4-ylethyl)aniline
CID 60719981
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 90520324
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
N-[2-(4-ethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168009
2-(4-ethoxyphenoxy)-N-[2-(furan-3-yl)ethyl]acetamide
CID 90558332
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid
CID 168879393

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide (CID 174353382) is N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide is [H]/N=C(/c1ccnc(-n2ccnc2)n1)C(CC)C(=O)NCCc1ccc(OCC)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide?
The InChIKey is FDUXDDPVBUWYOR-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-3-18(20(23)19-10-12-26-22(27-19)28-14-13-24-15-28)21(29)25-11-9-16-5-7-17(8-6-16)30-4-2/h5-8,10,12-15,18,23H,3-4,9,11H2,1-2H3,(H,25,29)/b23-20+.
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide?
N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide has a molecular weight of 406.49 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidine-4-carboximidoyl)butanamide is sourced from PubChem (CID 174353382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).