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

C9H15N3O2 — CID 64531064

IUPAC2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate
SMILESCC(C)COC(=O)NCc1ncc[nH]1
InChIInChI=1S/C9H15N3O2/c1-7(2)6-14-9(13)12-5-8-10-3-4-11-8/h3-4,7H,5-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyQTQLOPNCBKVLAN-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.29
Rot. Bonds4

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

2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate (PubChem CID 64531064) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate
PubChem CID64531064
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate
SMILESCC(C)COC(=O)NCc1ncc[nH]1
InChIInChI=1S/C9H15N3O2/c1-7(2)6-14-9(13)12-5-8-10-3-4-11-8/h3-4,7H,5-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyQTQLOPNCBKVLAN-UHFFFAOYSA-N
XLogP1.29
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64530068
2-methylpropyl N-(1H-imidazol-2-yl)carbamate
CID 63565035
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-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 113220506
9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64531827
N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine
CID 115618900
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
2-methylpropyl N-(1H-pyrazol-4-ylmethyl)carbamate
CID 61004410
2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64531448
4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64519328

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate?
The IUPAC name of 2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate (CID 64531064) is 2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate is CC(C)COC(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate?
The InChIKey is QTQLOPNCBKVLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(2)6-14-9(13)12-5-8-10-3-4-11-8/h3-4,7H,5-6H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate?
2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate has a molecular weight of 197.24 g/mol, XLogP of 1.29, 4 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-ylmethyl)carbamate is sourced from PubChem (CID 64531064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).