propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate

C8H13N3O2 — CID 64530068

IUPACpropan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate
SMILESCC(C)OC(=O)NCc1ncc[nH]1
InChIInChI=1S/C8H13N3O2/c1-6(2)13-8(12)11-5-7-9-3-4-10-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyWPMFTAXHCCQKBP-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.04
Rot. Bonds3

About propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate

propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate (PubChem CID 64530068) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate
PubChem CID64530068
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namepropan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate
SMILESCC(C)OC(=O)NCc1ncc[nH]1
InChIInChI=1S/C8H13N3O2/c1-6(2)13-8(12)11-5-7-9-3-4-10-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyWPMFTAXHCCQKBP-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64531064
N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 112691042
4-(1H-imidazol-2-ylmethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498569
3-chloro-N-(1H-imidazol-2-ylmethyl)-2-methylpropanamide
CID 64532215
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64531448
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64529772
2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 71984266
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 130622379
4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64519328
9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64531827
3-[ethyl(1H-imidazol-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 64524720

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate?
The IUPAC name of propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate (CID 64530068) is propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate?
The canonical SMILES for propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate is CC(C)OC(=O)NCc1ncc[nH]1.
What is the InChIKey of propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate?
The InChIKey is WPMFTAXHCCQKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)13-8(12)11-5-7-9-3-4-10-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate?
propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate has a molecular weight of 183.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate is sourced from PubChem (CID 64530068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).