1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone

C19H27N3O3 — CID 97066525

IUPAC1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone
SMILESCC(=O)c1nc(CCN(C)C[C@@H](O)COCc2ccccc2)[nH]c1C
InChIInChI=1S/C19H27N3O3/c1-14-19(15(2)23)21-18(20-14)9-10-22(3)11-17(24)13-25-12-16-7-5-4-6-8-16/h4-8,17,24H,9-13H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyJHVMEPHDNDDYIY-QGZVFWFLSA-N
MW345.44 g/mol
LogP1.97
Rot. Bonds10

About 1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone

1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone (PubChem CID 97066525) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone
PubChem CID97066525
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone
SMILESCC(=O)c1nc(CCN(C)C[C@@H](O)COCc2ccccc2)[nH]c1C
InChIInChI=1S/C19H27N3O3/c1-14-19(15(2)23)21-18(20-14)9-10-22(3)11-17(24)13-25-12-16-7-5-4-6-8-16/h4-8,17,24H,9-13H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyJHVMEPHDNDDYIY-QGZVFWFLSA-N
XLogP1.97
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone with MolForge

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Related Compounds

1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
(2S)-1-[2-chloroprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629006
N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide
CID 139685675
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119182403
N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
CID 96547844
(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629005
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide
CID 111595938
N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide
CID 111781993
3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea
CID 52511984
2-(aminomethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119749056

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone?
The IUPAC name of 1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone (CID 97066525) is 1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone is CC(=O)c1nc(CCN(C)C[C@@H](O)COCc2ccccc2)[nH]c1C.
What is the InChIKey of 1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone?
The InChIKey is JHVMEPHDNDDYIY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-19(15(2)23)21-18(20-14)9-10-22(3)11-17(24)13-25-12-16-7-5-4-6-8-16/h4-8,17,24H,9-13H2,1-3H3,(H,20,21)/t17-/m1/s1.
What are the key properties of 1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone?
1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone has a molecular weight of 345.44 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone is sourced from PubChem (CID 97066525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).