3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate

C13H14ClN3O2 — CID 10062176

IUPAC3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCCc1cnc[nH]1
InChIInChI=1S/C13H14ClN3O2/c14-10-3-5-11(6-4-10)17-13(18)19-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18)
InChIKeyWAJSVOHYTCATPJ-UHFFFAOYSA-N
MW279.73 g/mol
LogP3.24
Rot. Bonds5

About 3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate

3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate (PubChem CID 10062176) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate
PubChem CID10062176
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCCc1cnc[nH]1
InChIInChI=1S/C13H14ClN3O2/c14-10-3-5-11(6-4-10)17-13(18)19-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18)
InChIKeyWAJSVOHYTCATPJ-UHFFFAOYSA-N
XLogP3.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 53.24
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-[2-(4-chlorophenyl)ethyl]carbamate
CID 73346048
3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate
CID 11808309
3-(1H-imidazol-5-yl)propyl N-(2-methylpropyl)carbamate
CID 10727902
3-(1H-imidazol-5-yl)propyl N-pentylcarbamate
CID 10537959
4-(1H-imidazol-5-ylmethoxycarbonylamino)benzoic acid
CID 141007132
methyl (2S)-2-[3-(1H-imidazol-5-yl)propoxycarbonylamino]-3-methylbutanoate
CID 10334021
3-(1H-imidazol-5-yl)propyl N-octylcarbamate
CID 10564790
methyl N-[4-(1H-imidazol-5-ylmethylamino)phenyl]carbamate
CID 62763549
(Z)-but-2-enedioic acid;3-(1H-imidazol-5-yl)propyl N-[(E)-hex-2-enyl]carbamate
CID 54583422
1H-imidazol-5-ylmethyl 4-chlorobenzoate
CID 29068
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
6-[(4-chlorophenyl)carbamoyloxy]hexyl 2-methylbutanoate
CID 59366004

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate (CID 10062176) is 3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate?
The InChIKey is WAJSVOHYTCATPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-10-3-5-11(6-4-10)17-13(18)19-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate?
3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate has a molecular weight of 279.73 g/mol, XLogP of 3.24, 5 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-(4-chlorophenyl)carbamate is sourced from PubChem (CID 10062176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).