N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide

C19H20N4O — CID 1084661

IUPACN-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C19H20N4O/c24-19(13-6-2-1-3-7-13)21-14-9-10-15-17(12-14)23-18(22-15)16-8-4-5-11-20-16/h4-5,8-13H,1-3,6-7H2,(H,21,24)(H,22,23)
InChIKeyLSTQFCLDGQRHFH-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.14
Rot. Bonds3

About N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide

N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide (PubChem CID 1084661) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide
PubChem CID1084661
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C19H20N4O/c24-19(13-6-2-1-3-7-13)21-14-9-10-15-17(12-14)23-18(22-15)16-8-4-5-11-20-16/h4-5,8-13H,1-3,6-7H2,(H,21,24)(H,22,23)
InChIKeyLSTQFCLDGQRHFH-UHFFFAOYSA-N
XLogP4.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide 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-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide (CID 1084661) is N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide is O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)C1CCCCC1.
What is the InChIKey of N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
The InChIKey is LSTQFCLDGQRHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(13-6-2-1-3-7-13)21-14-9-10-15-17(12-14)23-18(22-15)16-8-4-5-11-20-16/h4-5,8-13H,1-3,6-7H2,(H,21,24)(H,22,23).
What are the key properties of N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide has a molecular weight of 320.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 1084661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).