tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate

C14H25N3O2 — CID 22414662

IUPACtert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate
SMILESCCCCc1ncc(CCNC(=O)OC(C)(C)C)[nH]1
InChIInChI=1S/C14H25N3O2/c1-5-6-7-12-16-10-11(17-12)8-9-15-13(18)19-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyHLSMDKYPHMEPLI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.82
Rot. Bonds6

About tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate

tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate (PubChem CID 22414662) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate
PubChem CID22414662
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nametert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate
SMILESCCCCc1ncc(CCNC(=O)OC(C)(C)C)[nH]1
InChIInChI=1S/C14H25N3O2/c1-5-6-7-12-16-10-11(17-12)8-9-15-13(18)19-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyHLSMDKYPHMEPLI-UHFFFAOYSA-N
XLogP2.82
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]carbamate
CID 546504
tert-butyl N-[2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 102970592
tert-butyl N-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]carbamate;N-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]hexanamide;iodoform;methane
CID 163427562
tert-butyl N-[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]butyl]carbamate
CID 91372126
tert-butyl N-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]hexyl]carbamate
CID 103753203
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71279113
tert-butyl N-[2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)ethyl]carbamate
CID 66523332
tert-butyl N-[2-[2-(5-fluoro-2-methoxyphenyl)-1H-imidazol-5-yl]ethyl]carbamate
CID 101450134
tert-butyl N-[3-(2-amino-6-butoxy-7H-purin-8-yl)propyl]carbamate
CID 67262401
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate (CID 22414662) is tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate is CCCCc1ncc(CCNC(=O)OC(C)(C)C)[nH]1.
What is the InChIKey of tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate?
The InChIKey is HLSMDKYPHMEPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-6-7-12-16-10-11(17-12)8-9-15-13(18)19-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate?
tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate has a molecular weight of 267.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 22414662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).