tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate

C8H15N3O2 — CID 102036146

IUPACtert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=NCCN1
InChIInChI=1S/C8H15N3O2/c1-8(2,3)13-7(12)11-6-9-4-5-10-6/h4-5H2,1-3H3,(H2,9,10,11,12)
InChIKeyRMVWLHAAAGYUMR-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.47
Rot. Bonds

About tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate

tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate (PubChem CID 102036146) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate
PubChem CID102036146
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Nametert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=NCCN1
InChIInChI=1S/C8H15N3O2/c1-8(2,3)13-7(12)11-6-9-4-5-10-6/h4-5H2,1-3H3,(H2,9,10,11,12)
InChIKeyRMVWLHAAAGYUMR-UHFFFAOYSA-N
XLogP0.47
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate (CID 102036146) is tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate is CC(C)(C)OC(=O)NC1=NCCN1.
What is the InChIKey of tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate?
The InChIKey is RMVWLHAAAGYUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-8(2,3)13-7(12)11-6-9-4-5-10-6/h4-5H2,1-3H3,(H2,9,10,11,12).
What are the key properties of tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate?
tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate has a molecular weight of 185.23 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,5-dihydro-1H-imidazol-2-yl)carbamate is sourced from PubChem (CID 102036146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).