(2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol

C8H13Cl2N3O — CID 103740967

IUPAC(2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1c(Cl)nc(Cl)n1C
InChIInChI=1S/C8H13Cl2N3O/c1-5(4-14)11-3-6-7(9)12-8(10)13(6)2/h5,11,14H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyYNIQFSKRXCRLMG-RXMQYKEDSA-N
MW238.12 g/mol
LogP1.20
Rot. Bonds4

About (2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol

(2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol (PubChem CID 103740967) has the molecular formula C8H13Cl2N3O and a molecular weight of 238.12 g/mol. Its IUPAC name is (2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol
PubChem CID103740967
Molecular FormulaC8H13Cl2N3O
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name(2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1c(Cl)nc(Cl)n1C
InChIInChI=1S/C8H13Cl2N3O/c1-5(4-14)11-3-6-7(9)12-8(10)13(6)2/h5,11,14H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyYNIQFSKRXCRLMG-RXMQYKEDSA-N
XLogP1.20
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol (CID 103740967) is (2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol is C[C@H](CO)NCc1c(Cl)nc(Cl)n1C.
What is the InChIKey of (2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol?
The InChIKey is YNIQFSKRXCRLMG-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13Cl2N3O/c1-5(4-14)11-3-6-7(9)12-8(10)13(6)2/h5,11,14H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol?
(2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol has a molecular weight of 238.12 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 103740967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).