[3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate

C14H17N3O2 — CID 174613982

IUPAC[3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate
SMILESCc1cncn1CCC(OC(N)=O)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-11-9-16-10-17(11)8-7-13(19-14(15)18)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8H2,1H3,(H2,15,18)
InChIKeyRHKKSMRZVJZPEP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.42
Rot. Bonds5

About [3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate

[3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate (PubChem CID 174613982) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate.

Molecular Properties

Compound Name[3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate
PubChem CID174613982
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate
SMILESCc1cncn1CCC(OC(N)=O)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-11-9-16-10-17(11)8-7-13(19-14(15)18)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8H2,1H3,(H2,15,18)
InChIKeyRHKKSMRZVJZPEP-UHFFFAOYSA-N
XLogP2.42
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diphenylpropyl carbamate
CID 154100927
(2-amino-1-phenylethyl) carbamate
CID 57066991
[3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281007
(2-bromo-1-phenylethyl) carbamate
CID 175141510
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
ethyl 4-[5-[amino(phenyl)methyl]imidazol-1-yl]butanoate
CID 114706337
5-methyl-1-(3-methylbutyl)imidazole
CID 58133948
2-(5-methylimidazol-1-yl)ethyl acetate
CID 154705387
benzyl 2-(5-methylimidazol-1-yl)acetate
CID 118639372
3-(5-methylimidazol-1-yl)-3-phenylpropanoic acid
CID 134371002
(4-azido-1-phenylbutyl) carbamate
CID 121415286
[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate
CID 175179381

Frequently Asked Questions

What is the IUPAC name of [3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate?
The IUPAC name of [3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate (CID 174613982) is [3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate.
What is the SMILES notation for [3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate?
The canonical SMILES for [3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate is Cc1cncn1CCC(OC(N)=O)c1ccccc1.
What is the InChIKey of [3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate?
The InChIKey is RHKKSMRZVJZPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-9-16-10-17(11)8-7-13(19-14(15)18)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8H2,1H3,(H2,15,18).
What are the key properties of [3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate?
[3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate has a molecular weight of 259.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate is sourced from PubChem (CID 174613982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).