N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide

C20H20N6O — CID 56742739

IUPACN-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NCc1cccnc1-n1cnc2ccccc21
InChIInChI=1S/C20H20N6O/c1-2-12-26-18(9-11-24-26)20(27)22-13-15-6-5-10-21-19(15)25-14-23-16-7-3-4-8-17(16)25/h3-11,14H,2,12-13H2,1H3,(H,22,27)
InChIKeyRUNMHAQQZUFDPV-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.96
Rot. Bonds6

About N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide

N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide (PubChem CID 56742739) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide
PubChem CID56742739
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NCc1cccnc1-n1cnc2ccccc21
InChIInChI=1S/C20H20N6O/c1-2-12-26-18(9-11-24-26)20(27)22-13-15-6-5-10-21-19(15)25-14-23-16-7-3-4-8-17(16)25/h3-11,14H,2,12-13H2,1H3,(H,22,27)
InChIKeyRUNMHAQQZUFDPV-UHFFFAOYSA-N
XLogP2.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide (CID 56742739) is N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)NCc1cccnc1-n1cnc2ccccc21.
What is the InChIKey of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide?
The InChIKey is RUNMHAQQZUFDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-2-12-26-18(9-11-24-26)20(27)22-13-15-6-5-10-21-19(15)25-14-23-16-7-3-4-8-17(16)25/h3-11,14H,2,12-13H2,1H3,(H,22,27).
What are the key properties of N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide?
N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 56742739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).