N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide

C19H27N3O3 — CID 135105886

IUPACN-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide
SMILESCc1ncc(CN(CCO)C(=O)c2ccc(CCC(C)(C)O)cc2)[nH]1
InChIInChI=1S/C19H27N3O3/c1-14-20-12-17(21-14)13-22(10-11-23)18(24)16-6-4-15(5-7-16)8-9-19(2,3)25/h4-7,12,23,25H,8-11,13H2,1-3H3,(H,20,21)
InChIKeyIVSGVEPXHQIBJG-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.06
Rot. Bonds8

About N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide

N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide (PubChem CID 135105886) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide
PubChem CID135105886
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide
SMILESCc1ncc(CN(CCO)C(=O)c2ccc(CCC(C)(C)O)cc2)[nH]1
InChIInChI=1S/C19H27N3O3/c1-14-20-12-17(21-14)13-22(10-11-23)18(24)16-6-4-15(5-7-16)8-9-19(2,3)25/h4-7,12,23,25H,8-11,13H2,1-3H3,(H,20,21)
InChIKeyIVSGVEPXHQIBJG-UHFFFAOYSA-N
XLogP2.06
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide (CID 135105886) is N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide is Cc1ncc(CN(CCO)C(=O)c2ccc(CCC(C)(C)O)cc2)[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide?
The InChIKey is IVSGVEPXHQIBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-20-12-17(21-14)13-22(10-11-23)18(24)16-6-4-15(5-7-16)8-9-19(2,3)25/h4-7,12,23,25H,8-11,13H2,1-3H3,(H,20,21).
What are the key properties of N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide?
N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide has a molecular weight of 345.44 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide is sourced from PubChem (CID 135105886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).