3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate

C15H18ClN3O2 — CID 73346048

IUPAC3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(Cl)cc1)OCCCc1cnc[nH]1
InChIInChI=1S/C15H18ClN3O2/c16-13-5-3-12(4-6-13)7-8-18-15(20)21-9-1-2-14-10-17-11-19-14/h3-6,10-11H,1-2,7-9H2,(H,17,19)(H,18,20)
InChIKeyZZKWKVIYOASMCL-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.96
Rot. Bonds7

About 3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate

3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate (PubChem CID 73346048) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate
PubChem CID73346048
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(Cl)cc1)OCCCc1cnc[nH]1
InChIInChI=1S/C15H18ClN3O2/c16-13-5-3-12(4-6-13)7-8-18-15(20)21-9-1-2-14-10-17-11-19-14/h3-6,10-11H,1-2,7-9H2,(H,17,19)(H,18,20)
InChIKeyZZKWKVIYOASMCL-UHFFFAOYSA-N
XLogP2.96
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.96
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-(4-chlorophenyl)carbamate
CID 10062176
3-(1H-imidazol-5-yl)propyl N-pentylcarbamate
CID 10537959
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-(trifluoromethyl)carbamate
CID 19710619
2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703
3-(1H-imidazol-5-yl)propyl 3-(4-iodophenyl)propanoate
CID 10620015
(Z)-but-2-enedioic acid;3-(1H-imidazol-5-yl)propyl N-[(E)-hex-2-enyl]carbamate
CID 54583422
1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide
CID 11278861
2-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 46987858
(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 23366848
methyl (2S)-2-[3-(1H-imidazol-5-yl)propoxycarbonylamino]-3-methylbutanoate
CID 10334021

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate (CID 73346048) is 3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate is O=C(NCCc1ccc(Cl)cc1)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate?
The InChIKey is ZZKWKVIYOASMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-13-5-3-12(4-6-13)7-8-18-15(20)21-9-1-2-14-10-17-11-19-14/h3-6,10-11H,1-2,7-9H2,(H,17,19)(H,18,20).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate?
3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate has a molecular weight of 307.78 g/mol, XLogP of 2.96, 7 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-[2-(4-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 73346048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).