2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol

C6H10ClN3O — CID 91419908

IUPAC2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol
SMILESOCCNCc1[nH]cnc1Cl
InChIInChI=1S/C6H10ClN3O/c7-6-5(9-4-10-6)3-8-1-2-11/h4,8,11H,1-3H2,(H,9,10)
InChIKeyIMPCOVATHYZYDS-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.14
Rot. Bonds4

About 2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol

2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol (PubChem CID 91419908) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is 2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol
PubChem CID91419908
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol
SMILESOCCNCc1[nH]cnc1Cl
InChIInChI=1S/C6H10ClN3O/c7-6-5(9-4-10-6)3-8-1-2-11/h4,8,11H,1-3H2,(H,9,10)
InChIKeyIMPCOVATHYZYDS-UHFFFAOYSA-N
XLogP0.14
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol?
The IUPAC name of 2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol (CID 91419908) is 2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol?
The canonical SMILES for 2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol is OCCNCc1[nH]cnc1Cl.
What is the InChIKey of 2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol?
The InChIKey is IMPCOVATHYZYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O/c7-6-5(9-4-10-6)3-8-1-2-11/h4,8,11H,1-3H2,(H,9,10).
What are the key properties of 2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol?
2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol has a molecular weight of 175.62 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 91419908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).