1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea

C17H18N4O — CID 2882511

IUPAC1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea
SMILESO=C(NCCCn1ccnc1)Nc1cccc2ccccc12
InChIInChI=1S/C17H18N4O/c22-17(19-9-4-11-21-12-10-18-13-21)20-16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,10,12-13H,4,9,11H2,(H2,19,20,22)
InChIKeySFQCQHCMFGPPMT-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.25
Rot. Bonds5

About 1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea

1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea (PubChem CID 2882511) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea
PubChem CID2882511
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea
SMILESO=C(NCCCn1ccnc1)Nc1cccc2ccccc12
InChIInChI=1S/C17H18N4O/c22-17(19-9-4-11-21-12-10-18-13-21)20-16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,10,12-13H,4,9,11H2,(H2,19,20,22)
InChIKeySFQCQHCMFGPPMT-UHFFFAOYSA-N
XLogP3.25
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea (CID 2882511) is 1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea is O=C(NCCCn1ccnc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea?
The InChIKey is SFQCQHCMFGPPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-17(19-9-4-11-21-12-10-18-13-21)20-16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,10,12-13H,4,9,11H2,(H2,19,20,22).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea?
1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea has a molecular weight of 294.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 2882511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).