[5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate

C11H18IN3O2 — CID 174584363

IUPAC[5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate
SMILESCc1nc(I)cn1CCCC(C)(C)OC(N)=O
InChIInChI=1S/C11H18IN3O2/c1-8-14-9(12)7-15(8)6-4-5-11(2,3)17-10(13)16/h7H,4-6H2,1-3H3,(H2,13,16)
InChIKeyURNHCTOFJUJNPY-UHFFFAOYSA-N
MW351.19 g/mol
LogP2.45
Rot. Bonds5

About [5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate

[5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate (PubChem CID 174584363) has the molecular formula C11H18IN3O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is [5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate
PubChem CID174584363
Molecular FormulaC11H18IN3O2
Molecular Weight351.19 g/mol
Exact Mass351.04
IUPAC Name[5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate
SMILESCc1nc(I)cn1CCCC(C)(C)OC(N)=O
InChIInChI=1S/C11H18IN3O2/c1-8-14-9(12)7-15(8)6-4-5-11(2,3)17-10(13)16/h7H,4-6H2,1-3H3,(H2,13,16)
InChIKeyURNHCTOFJUJNPY-UHFFFAOYSA-N
XLogP2.45
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-iodo-2-methylimidazole-1-carboxylate
CID 178024038
1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide
CID 70981835
(5-fluoro-2-methylpentan-2-yl) carbamate
CID 150885569
(6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride
CID 162340751
2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid
CID 165485276
4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid
CID 165490156
[6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate
CID 175180105
tert-butyl 4-[4-iodo-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 67112018
[1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 150360244
[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
CID 151194461
1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide
CID 89157790
[2-methyl-4-[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]butan-2-yl] carbamate
CID 174468074

Frequently Asked Questions

What is the IUPAC name of [5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate?
The IUPAC name of [5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate (CID 174584363) is [5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate.
What is the SMILES notation for [5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate?
The canonical SMILES for [5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate is Cc1nc(I)cn1CCCC(C)(C)OC(N)=O.
What is the InChIKey of [5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate?
The InChIKey is URNHCTOFJUJNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O2/c1-8-14-9(12)7-15(8)6-4-5-11(2,3)17-10(13)16/h7H,4-6H2,1-3H3,(H2,13,16).
What are the key properties of [5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate?
[5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate has a molecular weight of 351.19 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-iodo-2-methylimidazol-1-yl)-2-methylpentan-2-yl] carbamate is sourced from PubChem (CID 174584363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).