3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

C15H17N5O — CID 61004748

IUPAC3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C15H17N5O/c1-11-12(9-18-19-11)8-16-15(21)6-7-20-10-17-13-4-2-3-5-14(13)20/h2-5,9-10H,6-8H2,1H3,(H,16,21)(H,18,19)
InChIKeyQEJPFDGRYVGESY-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.77
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 61004748) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID61004748
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C15H17N5O/c1-11-12(9-18-19-11)8-16-15(21)6-7-20-10-17-13-4-2-3-5-14(13)20/h2-5,9-10H,6-8H2,1H3,(H,16,21)(H,18,19)
InChIKeyQEJPFDGRYVGESY-UHFFFAOYSA-N
XLogP1.77
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.77
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-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (CID 61004748) is 3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is Cc1[nH]ncc1CNC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is QEJPFDGRYVGESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-12(9-18-19-11)8-16-15(21)6-7-20-10-17-13-4-2-3-5-14(13)20/h2-5,9-10H,6-8H2,1H3,(H,16,21)(H,18,19).
What are the key properties of 3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 283.34 g/mol, XLogP of 1.77, 5 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-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 61004748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).