2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide

C20H20N6O — CID 39619634

IUPAC2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C20H20N6O/c1-2-18-24-16-6-3-4-7-17(16)25(18)14-20(27)22-13-15-8-10-21-19(12-15)26-11-5-9-23-26/h3-12H,2,13-14H2,1H3,(H,22,27)
InChIKeyXNTJENTYIWYBCH-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.50
Rot. Bonds6

About 2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide

2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide (PubChem CID 39619634) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
PubChem CID39619634
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C20H20N6O/c1-2-18-24-16-6-3-4-7-17(16)25(18)14-20(27)22-13-15-8-10-21-19(12-15)26-11-5-9-23-26/h3-12H,2,13-14H2,1H3,(H,22,27)
InChIKeyXNTJENTYIWYBCH-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide (CID 39619634) is 2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide is CCc1nc2ccccc2n1CC(=O)NCc1ccnc(-n2cccn2)c1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is XNTJENTYIWYBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-2-18-24-16-6-3-4-7-17(16)25(18)14-20(27)22-13-15-8-10-21-19(12-15)26-11-5-9-23-26/h3-12H,2,13-14H2,1H3,(H,22,27).
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide?
2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 39619634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).