N-(1H-imidazol-5-yl)pentanamide

C8H13N3O — CID 130719648

IUPACN-(1H-imidazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1cnc[nH]1
InChIInChI=1S/C8H13N3O/c1-2-3-4-8(12)11-7-5-9-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyCNYPJOXUBZFADR-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.54
Rot. Bonds4

About N-(1H-imidazol-5-yl)pentanamide

N-(1H-imidazol-5-yl)pentanamide (PubChem CID 130719648) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(1H-imidazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-yl)pentanamide
PubChem CID130719648
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(1H-imidazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1cnc[nH]1
InChIInChI=1S/C8H13N3O/c1-2-3-4-8(12)11-7-5-9-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyCNYPJOXUBZFADR-UHFFFAOYSA-N
XLogP1.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-yl)pentanamide?
The IUPAC name of N-(1H-imidazol-5-yl)pentanamide (CID 130719648) is N-(1H-imidazol-5-yl)pentanamide.
What is the SMILES notation for N-(1H-imidazol-5-yl)pentanamide?
The canonical SMILES for N-(1H-imidazol-5-yl)pentanamide is CCCCC(=O)Nc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-yl)pentanamide?
The InChIKey is CNYPJOXUBZFADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-4-8(12)11-7-5-9-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of N-(1H-imidazol-5-yl)pentanamide?
N-(1H-imidazol-5-yl)pentanamide has a molecular weight of 167.21 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-yl)pentanamide is sourced from PubChem (CID 130719648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).