1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol

C13H24N4O3 — CID 11300601

IUPAC1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
SMILESCCCN(CCC)CC(O)Cn1c([N+](=O)[O-])cnc1C
InChIInChI=1S/C13H24N4O3/c1-4-6-15(7-5-2)9-12(18)10-16-11(3)14-8-13(16)17(19)20/h8,12,18H,4-7,9-10H2,1-3H3
InChIKeyPNMOADKMOZDCIL-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.58
Rot. Bonds9

About 1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol

1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol (PubChem CID 11300601) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
PubChem CID11300601
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
SMILESCCCN(CCC)CC(O)Cn1c([N+](=O)[O-])cnc1C
InChIInChI=1S/C13H24N4O3/c1-4-6-15(7-5-2)9-12(18)10-16-11(3)14-8-13(16)17(19)20/h8,12,18H,4-7,9-10H2,1-3H3
InChIKeyPNMOADKMOZDCIL-UHFFFAOYSA-N
XLogP1.58
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
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

(2R)-3-(2-methyl-5-nitroimidazol-1-yl)propane-1,2-diol
CID 86310263
calcium;1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol;hydride
CID 175230485
2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl-propylamino]acetic acid
CID 61007403
ethane;2-methyl-5-nitro-1-propylimidazole
CID 144763653
1-(iodomethylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
CID 67790834
1-(2-hydroxyethylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
CID 146014908
1-(2,6-dichlorophenoxy)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
CID 109411147
1-(2-methyl-5-nitroimidazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 134130579
ethyl 4-[2-hydroxy-3-(2-methyl-5-nitroimidazol-1-yl)propyl]piperazine-1-carboxylate
CID 134131516
1-(4-bromophenyl)sulfanyl-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
CID 166283473
2-(2-methyl-5-nitroimidazol-1-yl)ethanol
CID 173359449
2-(2-methyl-5-nitroimidazol-1-yl)ethanol
CID 87813191

Frequently Asked Questions

What is the IUPAC name of 1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol (CID 11300601) is 1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol is CCCN(CCC)CC(O)Cn1c([N+](=O)[O-])cnc1C.
What is the InChIKey of 1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol?
The InChIKey is PNMOADKMOZDCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-4-6-15(7-5-2)9-12(18)10-16-11(3)14-8-13(16)17(19)20/h8,12,18H,4-7,9-10H2,1-3H3.
What are the key properties of 1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol?
1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol has a molecular weight of 284.36 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 11300601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).