3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

C17H23N3O2 — CID 70765860

IUPAC3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C17H23N3O2/c1-17(2,22)8-6-13-4-3-5-14(10-13)16(21)19-9-7-15-11-18-12-20-15/h3-5,10-12,22H,6-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDXZMQRGBRSNFGL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.09
Rot. Bonds7

About 3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 70765860) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
PubChem CID70765860
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C17H23N3O2/c1-17(2,22)8-6-13-4-3-5-14(10-13)16(21)19-9-7-15-11-18-12-20-15/h3-5,10-12,22H,6-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDXZMQRGBRSNFGL-UHFFFAOYSA-N
XLogP2.09
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
3-[3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]phenyl]prop-2-enoic acid
CID 77061481
3-(3-hydroxy-3-methylbutyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 70763675
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70747598
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
3-(4-hydroxybut-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231169
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 65236308
3-(3-hydroxy-3-methylbutyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 70788141
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70788922
3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]benzamide
CID 65232486
5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607670
3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 65236987

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (CID 70765860) is 3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is CC(C)(O)CCc1cccc(C(=O)NCCc2cnc[nH]2)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is DXZMQRGBRSNFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,22)8-6-13-4-3-5-14(10-13)16(21)19-9-7-15-11-18-12-20-15/h3-5,10-12,22H,6-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 70765860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).