3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol

C9H16ClN3O2 — CID 66186015

IUPAC3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol
SMILESCn1c(Cl)cnc1CNCC(C)(O)CO
InChIInChI=1S/C9H16ClN3O2/c1-9(15,6-14)5-11-4-8-12-3-7(10)13(8)2/h3,11,14-15H,4-6H2,1-2H3
InChIKeyHZHGRHIBOHNSOH-UHFFFAOYSA-N
MW233.70 g/mol
LogP-0.09
Rot. Bonds5

About 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol

3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol (PubChem CID 66186015) has the molecular formula C9H16ClN3O2 and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol
PubChem CID66186015
Molecular FormulaC9H16ClN3O2
Molecular Weight233.70 g/mol
Exact Mass233.09
IUPAC Name3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol
SMILESCn1c(Cl)cnc1CNCC(C)(O)CO
InChIInChI=1S/C9H16ClN3O2/c1-9(15,6-14)5-11-4-8-12-3-7(10)13(8)2/h3,11,14-15H,4-6H2,1-2H3
InChIKeyHZHGRHIBOHNSOH-UHFFFAOYSA-N
XLogP-0.09
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol (CID 66186015) is 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol is Cn1c(Cl)cnc1CNCC(C)(O)CO.
What is the InChIKey of 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol?
The InChIKey is HZHGRHIBOHNSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2/c1-9(15,6-14)5-11-4-8-12-3-7(10)13(8)2/h3,11,14-15H,4-6H2,1-2H3.
What are the key properties of 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol?
3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol has a molecular weight of 233.70 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66186015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).