N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide

C20H16N6O2 — CID 168973609

IUPACN-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide
SMILESN#Cc1ccc2c(c1)nc(NC(=O)Cn1cccn1)n2Cc1ccc(O)cc1
InChIInChI=1S/C20H16N6O2/c21-11-15-4-7-18-17(10-15)23-20(24-19(28)13-25-9-1-8-22-25)26(18)12-14-2-5-16(27)6-3-14/h1-10,27H,12-13H2,(H,23,24,28)
InChIKeyPAIFGYZFJYLZSN-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.50
Rot. Bonds5

About N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide

N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide (PubChem CID 168973609) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide
PubChem CID168973609
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide
SMILESN#Cc1ccc2c(c1)nc(NC(=O)Cn1cccn1)n2Cc1ccc(O)cc1
InChIInChI=1S/C20H16N6O2/c21-11-15-4-7-18-17(10-15)23-20(24-19(28)13-25-9-1-8-22-25)26(18)12-14-2-5-16(27)6-3-14/h1-10,27H,12-13H2,(H,23,24,28)
InChIKeyPAIFGYZFJYLZSN-UHFFFAOYSA-N
XLogP2.50
TPSA108.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide 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-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide (CID 168973609) is N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide is N#Cc1ccc2c(c1)nc(NC(=O)Cn1cccn1)n2Cc1ccc(O)cc1.
What is the InChIKey of N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is PAIFGYZFJYLZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c21-11-15-4-7-18-17(10-15)23-20(24-19(28)13-25-9-1-8-22-25)26(18)12-14-2-5-16(27)6-3-14/h1-10,27H,12-13H2,(H,23,24,28).
What are the key properties of N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide?
N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 372.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-1-[(4-hydroxyphenyl)methyl]benzimidazol-2-yl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 168973609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).