2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide

C21H21N5O — CID 42959419

IUPAC2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCC(C(=O)NCCc1ccc(-n2cccn2)cc1)n1cnc2ccccc21
InChIInChI=1S/C21H21N5O/c1-16(25-15-23-19-5-2-3-6-20(19)25)21(27)22-13-11-17-7-9-18(10-8-17)26-14-4-12-24-26/h2-10,12,14-16H,11,13H2,1H3,(H,22,27)
InChIKeyUYHIWJPDPIXPNK-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.14
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide

2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide (PubChem CID 42959419) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
PubChem CID42959419
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCC(C(=O)NCCc1ccc(-n2cccn2)cc1)n1cnc2ccccc21
InChIInChI=1S/C21H21N5O/c1-16(25-15-23-19-5-2-3-6-20(19)25)21(27)22-13-11-17-7-9-18(10-8-17)26-14-4-12-24-26/h2-10,12,14-16H,11,13H2,1H3,(H,22,27)
InChIKeyUYHIWJPDPIXPNK-UHFFFAOYSA-N
XLogP3.14
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
methyl 6-[2-(benzimidazol-1-yl)propanoylamino]hexanoate
CID 46429398
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide
CID 56750658
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986
N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide
CID 41412655
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
2-(benzimidazol-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 56915831
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
2-(2-butan-2-ylphenoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 43052084
2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 47057339

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide (CID 42959419) is 2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide is CC(C(=O)NCCc1ccc(-n2cccn2)cc1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The InChIKey is UYHIWJPDPIXPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-16(25-15-23-19-5-2-3-6-20(19)25)21(27)22-13-11-17-7-9-18(10-8-17)26-14-4-12-24-26/h2-10,12,14-16H,11,13H2,1H3,(H,22,27).
What are the key properties of 2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 359.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 42959419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).