N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide

C24H21N5O2 — CID 73346611

IUPACN-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide
SMILESCO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C24H21N5O2/c1-17(28-31-2)20-10-11-23(29-14-13-25-16-29)22(15-20)27-24(30)19-8-6-18(7-9-19)21-5-3-4-12-26-21/h3-16H,1-2H3,(H,27,30)/b28-17+
InChIKeyKXYCAAASHKFHIV-OGLMXYFKSA-N
MW411.47 g/mol
LogP4.56
Rot. Bonds6

About N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide

N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide (PubChem CID 73346611) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide
PubChem CID73346611
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide
SMILESCO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C24H21N5O2/c1-17(28-31-2)20-10-11-23(29-14-13-25-16-29)22(15-20)27-24(30)19-8-6-18(7-9-19)21-5-3-4-12-26-21/h3-16H,1-2H3,(H,27,30)/b28-17+
InChIKeyKXYCAAASHKFHIV-OGLMXYFKSA-N
XLogP4.56
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide (CID 73346611) is N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide is CO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2ccc(-c3ccccn3)cc2)c1.
What is the InChIKey of N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide?
The InChIKey is KXYCAAASHKFHIV-OGLMXYFKSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-17(28-31-2)20-10-11-23(29-14-13-25-16-29)22(15-20)27-24(30)19-8-6-18(7-9-19)21-5-3-4-12-26-21/h3-16H,1-2H3,(H,27,30)/b28-17+.
What are the key properties of N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide?
N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide has a molecular weight of 411.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 73346611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).