2-methylpropyl N-(1H-imidazol-2-yl)carbamate

C8H13N3O2 — CID 63565035

IUPAC2-methylpropyl N-(1H-imidazol-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H13N3O2/c1-6(2)5-13-8(12)11-7-9-3-4-10-7/h3-4,6H,5H2,1-2H3,(H2,9,10,11,12)
InChIKeyVHBDBWBLQKISLW-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.61
Rot. Bonds3

About 2-methylpropyl N-(1H-imidazol-2-yl)carbamate

2-methylpropyl N-(1H-imidazol-2-yl)carbamate (PubChem CID 63565035) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methylpropyl N-(1H-imidazol-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1H-imidazol-2-yl)carbamate
PubChem CID63565035
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-methylpropyl N-(1H-imidazol-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H13N3O2/c1-6(2)5-13-8(12)11-7-9-3-4-10-7/h3-4,6H,5H2,1-2H3,(H2,9,10,11,12)
InChIKeyVHBDBWBLQKISLW-UHFFFAOYSA-N
XLogP1.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

prop-2-ynyl N-(1H-imidazol-2-yl)carbamate
CID 130693105
2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64531064
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983
3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 63564488
1-(1H-imidazol-2-yl)-3-propan-2-ylurea
CID 63564076
5-amino-N-(1H-imidazol-2-yl)hexanamide
CID 82852623
2-methylpropyl N-pyridazin-3-ylcarbamate
CID 68882705
(Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide
CID 131311129
1-amino-3-(1H-imidazol-2-yl)urea
CID 154210460
3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide
CID 63564295
N-(1H-imidazol-2-yl)-2-propylpentanamide
CID 115556416
3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide
CID 131084397

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1H-imidazol-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(1H-imidazol-2-yl)carbamate (CID 63565035) is 2-methylpropyl N-(1H-imidazol-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1H-imidazol-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(1H-imidazol-2-yl)carbamate is CC(C)COC(=O)Nc1ncc[nH]1.
What is the InChIKey of 2-methylpropyl N-(1H-imidazol-2-yl)carbamate?
The InChIKey is VHBDBWBLQKISLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)5-13-8(12)11-7-9-3-4-10-7/h3-4,6H,5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-methylpropyl N-(1H-imidazol-2-yl)carbamate?
2-methylpropyl N-(1H-imidazol-2-yl)carbamate has a molecular weight of 183.21 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(1H-imidazol-2-yl)carbamate is sourced from PubChem (CID 63565035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).