2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide

C19H19N3O2 — CID 31207168

IUPAC2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C19H19N3O2/c1-13-3-8-18(23)17(11-13)19(24)21-14(2)15-4-6-16(7-5-15)22-10-9-20-12-22/h3-12,14,23H,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyBITNAZXLZAELBN-AWEZNQCLSA-N
MW321.38 g/mol
LogP3.38
Rot. Bonds4

About 2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide

2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide (PubChem CID 31207168) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
PubChem CID31207168
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C19H19N3O2/c1-13-3-8-18(23)17(11-13)19(24)21-14(2)15-4-6-16(7-5-15)22-10-9-20-12-22/h3-12,14,23H,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyBITNAZXLZAELBN-AWEZNQCLSA-N
XLogP3.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide
CID 43003578
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
CID 42916141
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,4-dimethoxybenzamide
CID 18112932
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18112960
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide (CID 31207168) is 2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide is Cc1ccc(O)c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of 2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide?
The InChIKey is BITNAZXLZAELBN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-3-8-18(23)17(11-13)19(24)21-14(2)15-4-6-16(7-5-15)22-10-9-20-12-22/h3-12,14,23H,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide?
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 31207168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).