1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol

C16H22ClN3O2 — CID 110009972

IUPAC1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN(C)Cc1ncc(Cl)n1C
InChIInChI=1S/C16H22ClN3O2/c1-12-6-4-5-7-14(12)22-11-13(21)9-19(2)10-16-18-8-15(17)20(16)3/h4-8,13,21H,9-11H2,1-3H3
InChIKeyNKVYFRMIOIYNIA-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.25
Rot. Bonds7

About 1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol

1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 110009972) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID110009972
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN(C)Cc1ncc(Cl)n1C
InChIInChI=1S/C16H22ClN3O2/c1-12-6-4-5-7-14(12)22-11-13(21)9-19(2)10-16-18-8-15(17)20(16)3/h4-8,13,21H,9-11H2,1-3H3
InChIKeyNKVYFRMIOIYNIA-UHFFFAOYSA-N
XLogP2.25
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141
2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 110009988
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110936166
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 110882133
1-(3,5-dimethylphenoxy)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]propan-2-ol
CID 110936161
1-(4-tert-butylphenoxy)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]propan-2-ol
CID 110936164
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355
1-[bis(prop-2-ynyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 111490400
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol (CID 110009972) is 1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CN(C)Cc1ncc(Cl)n1C.
What is the InChIKey of 1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is NKVYFRMIOIYNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-12-6-4-5-7-14(12)22-11-13(21)9-19(2)10-16-18-8-15(17)20(16)3/h4-8,13,21H,9-11H2,1-3H3.
What are the key properties of 1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol?
1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 323.82 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 110009972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).