3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol

C10H18N4O3 — CID 103554912

IUPAC3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol
SMILESCc1nc([N+](=O)[O-])c(NC(C)(C)C(C)O)n1C
InChIInChI=1S/C10H18N4O3/c1-6(15)10(3,4)12-9-8(14(16)17)11-7(2)13(9)5/h6,12,15H,1-5H3
InChIKeyKDZABGRAZADKBK-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.21
Rot. Bonds4

About 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol

3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol (PubChem CID 103554912) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol
PubChem CID103554912
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol
SMILESCc1nc([N+](=O)[O-])c(NC(C)(C)C(C)O)n1C
InChIInChI=1S/C10H18N4O3/c1-6(15)10(3,4)12-9-8(14(16)17)11-7(2)13(9)5/h6,12,15H,1-5H3
InChIKeyKDZABGRAZADKBK-UHFFFAOYSA-N
XLogP1.21
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-2-methylpropanoic acid
CID 103554595
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]acetate
CID 7200415
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]propane-1,3-diol
CID 103696551
2,3-dimethyl-N-(4-methylpent-1-yn-3-yl)-5-nitroimidazol-4-amine
CID 114202644
2,3-dimethyl-N-[1-(4-methylphenyl)ethyl]-5-nitroimidazol-4-amine
CID 103554813
2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
CID 103746170
1-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]cyclopropane-1-carboxylic acid
CID 103554633
2,3-dimethyl-5-nitro-N-pent-4-en-2-ylimidazol-4-amine
CID 103554894
3-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]hexan-1-ol
CID 103705201
N-(1-methoxy-3-methylbutan-2-yl)-2,3-dimethyl-5-nitroimidazol-4-amine
CID 113243945
2,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitroimidazol-4-amine
CID 103554791
N-[1-(3-fluorophenyl)ethyl]-2,3-dimethyl-5-nitroimidazol-4-amine
CID 103554808

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol?
The IUPAC name of 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol (CID 103554912) is 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol.
What is the SMILES notation for 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol?
The canonical SMILES for 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol is Cc1nc([N+](=O)[O-])c(NC(C)(C)C(C)O)n1C.
What is the InChIKey of 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol?
The InChIKey is KDZABGRAZADKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-6(15)10(3,4)12-9-8(14(16)17)11-7(2)13(9)5/h6,12,15H,1-5H3.
What are the key properties of 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol?
3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol has a molecular weight of 242.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol is sourced from PubChem (CID 103554912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).