3-imidazol-1-yl-N-naphthalen-2-ylpropanamide

C16H15N3O — CID 4833225

IUPAC3-imidazol-1-yl-N-naphthalen-2-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H15N3O/c20-16(7-9-19-10-8-17-12-19)18-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,8,10-12H,7,9H2,(H,18,20)
InChIKeyBTEDRFQZZNCQBG-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.07
Rot. Bonds4

About 3-imidazol-1-yl-N-naphthalen-2-ylpropanamide

3-imidazol-1-yl-N-naphthalen-2-ylpropanamide (PubChem CID 4833225) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-naphthalen-2-ylpropanamide
PubChem CID4833225
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-imidazol-1-yl-N-naphthalen-2-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H15N3O/c20-16(7-9-19-10-8-17-12-19)18-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,8,10-12H,7,9H2,(H,18,20)
InChIKeyBTEDRFQZZNCQBG-UHFFFAOYSA-N
XLogP3.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-naphthalen-2-ylpropanamide?
The IUPAC name of 3-imidazol-1-yl-N-naphthalen-2-ylpropanamide (CID 4833225) is 3-imidazol-1-yl-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 3-imidazol-1-yl-N-naphthalen-2-ylpropanamide is O=C(CCn1ccnc1)Nc1ccc2ccccc2c1.
What is the InChIKey of 3-imidazol-1-yl-N-naphthalen-2-ylpropanamide?
The InChIKey is BTEDRFQZZNCQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16(7-9-19-10-8-17-12-19)18-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,8,10-12H,7,9H2,(H,18,20).
What are the key properties of 3-imidazol-1-yl-N-naphthalen-2-ylpropanamide?
3-imidazol-1-yl-N-naphthalen-2-ylpropanamide has a molecular weight of 265.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 4833225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).