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

C8H13N3O2 — CID 70568732

IUPAC1H-imidazol-2-yl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)Oc1ncc[nH]1
InChIInChI=1S/C8H13N3O2/c1-6(2)5-11-8(12)13-7-9-3-4-10-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyDENYMSVDNLFJBX-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.15
Rot. Bonds3

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

1H-imidazol-2-yl N-(2-methylpropyl)carbamate (PubChem CID 70568732) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1H-imidazol-2-yl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name1H-imidazol-2-yl N-(2-methylpropyl)carbamate
PubChem CID70568732
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1H-imidazol-2-yl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)Oc1ncc[nH]1
InChIInChI=1S/C8H13N3O2/c1-6(2)5-11-8(12)13-7-9-3-4-10-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyDENYMSVDNLFJBX-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;hydride;1H-imidazol-2-yl acetate
CID 173104751
N-(2-methylpropyl)-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569242
O-(1H-imidazol-2-yl) 2-amino-2-oxoethanethioate
CID 88516870
1H-imidazol-2-yl pentanoate
CID 57278917
2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64531064
2-(1H-imidazol-2-yloxycarbonyl)benzoic acid
CID 57259829
N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569295
1H-imidazol-2-yl 2-ethylhexanoate
CID 166514820
2-(1H-imidazol-2-yloxycarbonyl)benzoic acid;nickel
CID 87741873
propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64530068
2-methylpropyl N-(1H-imidazol-2-yl)carbamate
CID 63565035
1-[1-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)thiourea
CID 116510320

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl N-(2-methylpropyl)carbamate?
The IUPAC name of 1H-imidazol-2-yl N-(2-methylpropyl)carbamate (CID 70568732) is 1H-imidazol-2-yl N-(2-methylpropyl)carbamate.
What is the SMILES notation for 1H-imidazol-2-yl N-(2-methylpropyl)carbamate?
The canonical SMILES for 1H-imidazol-2-yl N-(2-methylpropyl)carbamate is CC(C)CNC(=O)Oc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yl N-(2-methylpropyl)carbamate?
The InChIKey is DENYMSVDNLFJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)5-11-8(12)13-7-9-3-4-10-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 1H-imidazol-2-yl N-(2-methylpropyl)carbamate?
1H-imidazol-2-yl N-(2-methylpropyl)carbamate has a molecular weight of 183.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 70568732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).