3-(1H-imidazol-5-yl)nonyl carbamate

C13H23N3O2 — CID 57230034

IUPAC3-(1H-imidazol-5-yl)nonyl carbamate
SMILESCCCCCCC(CCOC(N)=O)c1cnc[nH]1
InChIInChI=1S/C13H23N3O2/c1-2-3-4-5-6-11(7-8-18-13(14)17)12-9-15-10-16-12/h9-11H,2-8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyLUIGUSOCNJWBLX-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.95
Rot. Bonds9

About 3-(1H-imidazol-5-yl)nonyl carbamate

3-(1H-imidazol-5-yl)nonyl carbamate (PubChem CID 57230034) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)nonyl carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)nonyl carbamate
PubChem CID57230034
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(1H-imidazol-5-yl)nonyl carbamate
SMILESCCCCCCC(CCOC(N)=O)c1cnc[nH]1
InChIInChI=1S/C13H23N3O2/c1-2-3-4-5-6-11(7-8-18-13(14)17)12-9-15-10-16-12/h9-11H,2-8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyLUIGUSOCNJWBLX-UHFFFAOYSA-N
XLogP2.95
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.95
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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Related Compounds

5-nonan-3-yl-1H-imidazole
CID 155076171
5-octan-3-yl-1H-imidazole
CID 57097336
[3-(1H-imidazol-5-yl)-6-phenylhexoxy]urea
CID 57170017
decyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 176896524
pentyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61302323
octyl 2-(1H-imidazol-5-yl)acetate
CID 25133039
octacosyl carbamate
CID 160925840
N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide
CID 67144003
(2S)-2-[[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]octanoic acid
CID 59101024
butyl 1H-imidazole-5-carboxylate
CID 22988126
[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl] 2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 176774202
octyl 3-(1H-imidazol-5-yl)propanoate
CID 25133716

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)nonyl carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)nonyl carbamate (CID 57230034) is 3-(1H-imidazol-5-yl)nonyl carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)nonyl carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)nonyl carbamate is CCCCCCC(CCOC(N)=O)c1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)nonyl carbamate?
The InChIKey is LUIGUSOCNJWBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-3-4-5-6-11(7-8-18-13(14)17)12-9-15-10-16-12/h9-11H,2-8H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 3-(1H-imidazol-5-yl)nonyl carbamate?
3-(1H-imidazol-5-yl)nonyl carbamate has a molecular weight of 253.35 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)nonyl carbamate is sourced from PubChem (CID 57230034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).