N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide

C22H25N3O2 — CID 125165527

IUPACN-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide
SMILESCC(C)n1ccnc1-c1cccc(C(=O)N(C)C[C@H](O)c2ccccc2)c1
InChIInChI=1S/C22H25N3O2/c1-16(2)25-13-12-23-21(25)18-10-7-11-19(14-18)22(27)24(3)15-20(26)17-8-5-4-6-9-17/h4-14,16,20,26H,15H2,1-3H3/t20-/m0/s1
InChIKeyKFYFGBSHQVWMQL-FQEVSTJZSA-N
MW363.46 g/mol
LogP3.94
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide

N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide (PubChem CID 125165527) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide
PubChem CID125165527
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide
SMILESCC(C)n1ccnc1-c1cccc(C(=O)N(C)C[C@H](O)c2ccccc2)c1
InChIInChI=1S/C22H25N3O2/c1-16(2)25-13-12-23-21(25)18-10-7-11-19(14-18)22(27)24(3)15-20(26)17-8-5-4-6-9-17/h4-14,16,20,26H,15H2,1-3H3/t20-/m0/s1
InChIKeyKFYFGBSHQVWMQL-FQEVSTJZSA-N
XLogP3.94
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95906928
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1-propan-2-ylimidazol-2-yl)benzamide
CID 118784183
2-phenyl-1-propan-2-ylimidazole
CID 12997870
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
CID 110291255
5-(1-propan-2-ylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 122560785
4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide
CID 122562004
[(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
CID 125167205
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110629576
3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
CID 62338581
2-(2-phenylimidazol-1-yl)butanoic acid
CID 61069183
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
3-[[2-[3-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]methyl]benzoic acid
CID 70758433

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide (CID 125165527) is N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide is CC(C)n1ccnc1-c1cccc(C(=O)N(C)C[C@H](O)c2ccccc2)c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide?
The InChIKey is KFYFGBSHQVWMQL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(2)25-13-12-23-21(25)18-10-7-11-19(14-18)22(27)24(3)15-20(26)17-8-5-4-6-9-17/h4-14,16,20,26H,15H2,1-3H3/t20-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide?
N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylethyl]-N-methyl-3-(1-propan-2-ylimidazol-2-yl)benzamide is sourced from PubChem (CID 125165527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).