3-(1H-imidazol-5-yl)propyl N-pentylcarbamate

C12H21N3O2 — CID 10537959

IUPAC3-(1H-imidazol-5-yl)propyl N-pentylcarbamate
SMILESCCCCCNC(=O)OCCCc1cnc[nH]1
InChIInChI=1S/C12H21N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h9-10H,2-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyORLDROMZMHBWDM-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.26
Rot. Bonds8

About 3-(1H-imidazol-5-yl)propyl N-pentylcarbamate

3-(1H-imidazol-5-yl)propyl N-pentylcarbamate (PubChem CID 10537959) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-pentylcarbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-pentylcarbamate
PubChem CID10537959
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(1H-imidazol-5-yl)propyl N-pentylcarbamate
SMILESCCCCCNC(=O)OCCCc1cnc[nH]1
InChIInChI=1S/C12H21N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h9-10H,2-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyORLDROMZMHBWDM-UHFFFAOYSA-N
XLogP2.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.26
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

3-(1H-imidazol-5-yl)propyl N-octylcarbamate
CID 10564790
3-(1H-imidazol-5-yl)propyl N-(2-methylpropyl)carbamate
CID 10727902
3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate
CID 73346048
(Z)-but-2-enedioic acid;3-(1H-imidazol-5-yl)propyl N-[(E)-hex-2-enyl]carbamate
CID 54583422
3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate;3-(1H-imidazol-5-yl)propyl N-(2-methylbutan-2-yl)carbamate
CID 67730620
octyl 3-(1H-imidazol-5-yl)propanoate
CID 25133716
3-(1H-imidazol-5-yl)propyl N-(trifluoromethyl)carbamate
CID 19710619
methyl (2S)-2-[3-(1H-imidazol-5-yl)propoxycarbonylamino]-3-methylbutanoate
CID 10334021
(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide
CID 10805811
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
undecyl N-octylcarbamate
CID 168918698

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-pentylcarbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-pentylcarbamate (CID 10537959) is 3-(1H-imidazol-5-yl)propyl N-pentylcarbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-pentylcarbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-pentylcarbamate is CCCCCNC(=O)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-pentylcarbamate?
The InChIKey is ORLDROMZMHBWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h9-10H,2-8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-pentylcarbamate?
3-(1H-imidazol-5-yl)propyl N-pentylcarbamate has a molecular weight of 239.32 g/mol, XLogP of 2.26, 8 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)propyl N-pentylcarbamate is sourced from PubChem (CID 10537959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).