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

C6H10ClN3O — CID 23064461

IUPAC2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol
SMILESCNc1ncn(CCO)c1Cl
InChIInChI=1S/C6H10ClN3O/c1-8-6-5(7)10(2-3-11)4-9-6/h4,8,11H,2-3H2,1H3
InChIKeyNGHLQQGBLOSAQN-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.57
Rot. Bonds3

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

2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol (PubChem CID 23064461) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is 2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol
PubChem CID23064461
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol
SMILESCNc1ncn(CCO)c1Cl
InChIInChI=1S/C6H10ClN3O/c1-8-6-5(7)10(2-3-11)4-9-6/h4,8,11H,2-3H2,1H3
InChIKeyNGHLQQGBLOSAQN-UHFFFAOYSA-N
XLogP0.57
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol?
The IUPAC name of 2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol (CID 23064461) is 2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol is CNc1ncn(CCO)c1Cl.
What is the InChIKey of 2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol?
The InChIKey is NGHLQQGBLOSAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O/c1-8-6-5(7)10(2-3-11)4-9-6/h4,8,11H,2-3H2,1H3.
What are the key properties of 2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol?
2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol has a molecular weight of 175.62 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(methylamino)imidazol-1-yl]ethanol is sourced from PubChem (CID 23064461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).