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

C19H20N4O — CID 741133

IUPACN-(2-pyridin-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C19H20N4O/c24-19(13-5-2-1-3-6-13)21-15-8-9-16-17(11-15)23-18(22-16)14-7-4-10-20-12-14/h4,7-13H,1-3,5-6H2,(H,21,24)(H,22,23)
InChIKeyOQOIVRFRNCARNW-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.14
Rot. Bonds3

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

N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide (PubChem CID 741133) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide
PubChem CID741133
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(2-pyridin-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C19H20N4O/c24-19(13-5-2-1-3-6-13)21-15-8-9-16-17(11-15)23-18(22-16)14-7-4-10-20-12-14/h4,7-13H,1-3,5-6H2,(H,21,24)(H,22,23)
InChIKeyOQOIVRFRNCARNW-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide (CID 741133) is N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide is O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)C1CCCCC1.
What is the InChIKey of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
The InChIKey is OQOIVRFRNCARNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(13-5-2-1-3-6-13)21-15-8-9-16-17(11-15)23-18(22-16)14-7-4-10-20-12-14/h4,7-13H,1-3,5-6H2,(H,21,24)(H,22,23).
What are the key properties of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
N-(2-pyridin-3-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-3-yl-3H-benzimidazol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 741133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).