[1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid

C10H16IN3O2 — CID 67196748

IUPAC[1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid
SMILESCC(C)(C)C(Cn1cnc(I)c1)NC(=O)O
InChIInChI=1S/C10H16IN3O2/c1-10(2,3)7(13-9(15)16)4-14-5-8(11)12-6-14/h5-7,13H,4H2,1-3H3,(H,15,16)
InChIKeyUCRQHCMKXZKELM-UHFFFAOYSA-N
MW337.16 g/mol
LogP2.17
Rot. Bonds3

About [1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid

[1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid (PubChem CID 67196748) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is [1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid
PubChem CID67196748
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name[1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid
SMILESCC(C)(C)C(Cn1cnc(I)c1)NC(=O)O
InChIInChI=1S/C10H16IN3O2/c1-10(2,3)7(13-9(15)16)4-14-5-8(11)12-6-14/h5-7,13H,4H2,1-3H3,(H,15,16)
InChIKeyUCRQHCMKXZKELM-UHFFFAOYSA-N
XLogP2.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylbutyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127045618
[(3S,4S)-4-fluoro-1-(1-methylimidazol-2-yl)pyrrolidin-3-yl]carbamic acid
CID 170167660
2,2,2-trifluoroethyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 61068979
3-Imidazol-1-ylpropylcarbamic acid
CID 18454824
1-Imidazol-1-ylpropylcarbamic acid
CID 22276291
[(1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)amino] N-methylcarbamate
CID 53953823
[[1-(2-ethylimidazol-1-yl)-3,3-dimethylbutan-2-ylidene]amino] N-methylcarbamate
CID 54452477
N-[3-(3-butylimidazol-1-ium-1-yl)propyl]carbamate
CID 58850402
3-(3-Butylimidazol-1-ium-1-yl)propylcarbamic acid
CID 58850403
[2-(4-Iodo-imidazol-1-yl)ethyl]carbamic acid tert-butyl ester
CID 59278896
Tert-butyl [3-(4-iodoimidazol-1-yl)-1,1-dimethyl-propyl]-carbamate
CID 59808428
[2-(2-Ethyl-4-iodoimidazol-1-yl)ethyl]carbamic acid tert-butyl ester
CID 66733720

Frequently Asked Questions

What is the IUPAC name of [1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid?
The IUPAC name of [1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid (CID 67196748) is [1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid.
What is the SMILES notation for [1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid?
The canonical SMILES for [1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid is CC(C)(C)C(Cn1cnc(I)c1)NC(=O)O.
What is the InChIKey of [1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid?
The InChIKey is UCRQHCMKXZKELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-10(2,3)7(13-9(15)16)4-14-5-8(11)12-6-14/h5-7,13H,4H2,1-3H3,(H,15,16).
What are the key properties of [1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid?
[1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid has a molecular weight of 337.16 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-iodoimidazol-1-yl)-3,3-dimethylbutan-2-yl]carbamic acid is sourced from PubChem (CID 67196748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).