2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol

C12H14ClN3O — CID 23064564

IUPAC2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol
SMILESCc1nc(NCCO)c(Cl)n1-c1ccccc1
InChIInChI=1S/C12H14ClN3O/c1-9-15-12(14-7-8-17)11(13)16(9)10-5-3-2-4-6-10/h2-6,14,17H,7-8H2,1H3
InChIKeyQNVNMYOKIDKJIZ-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.24
Rot. Bonds4

About 2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol

2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol (PubChem CID 23064564) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol
PubChem CID23064564
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol
SMILESCc1nc(NCCO)c(Cl)n1-c1ccccc1
InChIInChI=1S/C12H14ClN3O/c1-9-15-12(14-7-8-17)11(13)16(9)10-5-3-2-4-6-10/h2-6,14,17H,7-8H2,1H3
InChIKeyQNVNMYOKIDKJIZ-UHFFFAOYSA-N
XLogP2.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-1-phenyl-4-propan-2-ylimidazole
CID 130437861
2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol
CID 69424393
1-(5-chloro-2-methyl-1-phenylimidazol-4-yl)pyrrolidin-3-ol
CID 23064462
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol
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CID 13290926
3-(chloromethyl)-5-methyl-4-phenyl-1,2,4-triazole
CID 79021080
2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 86127467
tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate
CID 143493764
2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol
CID 167350764
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol
CID 107302931
2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 93214379

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol?
The IUPAC name of 2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol (CID 23064564) is 2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol is Cc1nc(NCCO)c(Cl)n1-c1ccccc1.
What is the InChIKey of 2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol?
The InChIKey is QNVNMYOKIDKJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-9-15-12(14-7-8-17)11(13)16(9)10-5-3-2-4-6-10/h2-6,14,17H,7-8H2,1H3.
What are the key properties of 2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol?
2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol has a molecular weight of 251.72 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methyl-1-phenylimidazol-4-yl)amino]ethanol is sourced from PubChem (CID 23064564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).