(E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide

C21H19N5O2 — CID 6053857

IUPAC(E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H19N5O2/c1-14-13-19(24-20(27)12-9-15-7-10-16(28-2)11-8-15)26(25-14)21-22-17-5-3-4-6-18(17)23-21/h3-13H,1-2H3,(H,22,23)(H,24,27)/b12-9+
InChIKeyYJEZTJVPPWLOOR-FMIVXFBMSA-N
MW373.42 g/mol
LogP3.72
Rot. Bonds5

About (E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 6053857) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is (E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID6053857
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name(E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H19N5O2/c1-14-13-19(24-20(27)12-9-15-7-10-16(28-2)11-8-15)26(25-14)21-22-17-5-3-4-6-18(17)23-21/h3-13H,1-2H3,(H,22,23)(H,24,27)/b12-9+
InChIKeyYJEZTJVPPWLOOR-FMIVXFBMSA-N
XLogP3.72
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide 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 (E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide (CID 6053857) is (E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is YJEZTJVPPWLOOR-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-13-19(24-20(27)12-9-15-7-10-16(28-2)11-8-15)26(25-14)21-22-17-5-3-4-6-18(17)23-21/h3-13H,1-2H3,(H,22,23)(H,24,27)/b12-9+.
What are the key properties of (E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 373.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6053857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).