N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide

C21H18N4O2 — CID 56758200

IUPACN-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cccnc2-n2cnc3ccccc32)c(O)c1
InChIInChI=1S/C21H18N4O2/c1-14-8-9-16(19(26)11-14)21(27)23-12-15-5-4-10-22-20(15)25-13-24-17-6-2-3-7-18(17)25/h2-11,13,26H,12H2,1H3,(H,23,27)
InChIKeyAUARIKUGHBEZEC-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.36
Rot. Bonds4

About N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide

N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide (PubChem CID 56758200) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide
PubChem CID56758200
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cccnc2-n2cnc3ccccc32)c(O)c1
InChIInChI=1S/C21H18N4O2/c1-14-8-9-16(19(26)11-14)21(27)23-12-15-5-4-10-22-20(15)25-13-24-17-6-2-3-7-18(17)25/h2-11,13,26H,12H2,1H3,(H,23,27)
InChIKeyAUARIKUGHBEZEC-UHFFFAOYSA-N
XLogP3.36
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide 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-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide (CID 56758200) is N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCc2cccnc2-n2cnc3ccccc32)c(O)c1.
What is the InChIKey of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is AUARIKUGHBEZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-8-9-16(19(26)11-14)21(27)23-12-15-5-4-10-22-20(15)25-13-24-17-6-2-3-7-18(17)25/h2-11,13,26H,12H2,1H3,(H,23,27).
What are the key properties of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide?
N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 358.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 56758200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).