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

C15H17N5O — CID 77092597

IUPAC3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCCc1cn[nH]c1
InChIInChI=1S/C15H17N5O/c21-15(16-7-5-12-9-18-19-10-12)6-8-20-11-17-13-3-1-2-4-14(13)20/h1-4,9-11H,5-8H2,(H,16,21)(H,18,19)
InChIKeyIEITVKYVGVZCSI-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.51
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide

3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 77092597) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID77092597
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCCc1cn[nH]c1
InChIInChI=1S/C15H17N5O/c21-15(16-7-5-12-9-18-19-10-12)6-8-20-11-17-13-3-1-2-4-14(13)20/h1-4,9-11H,5-8H2,(H,16,21)(H,18,19)
InChIKeyIEITVKYVGVZCSI-UHFFFAOYSA-N
XLogP1.51
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide (CID 77092597) is 3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide is O=C(CCn1cnc2ccccc21)NCCc1cn[nH]c1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is IEITVKYVGVZCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15(16-7-5-12-9-18-19-10-12)6-8-20-11-17-13-3-1-2-4-14(13)20/h1-4,9-11H,5-8H2,(H,16,21)(H,18,19).
What are the key properties of 3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 283.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 77092597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).