N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide

C17H23N3O2 — CID 135112894

IUPACN-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)N(CCO)Cc2cnc(C)[nH]2)cc1
InChIInChI=1S/C17H23N3O2/c1-3-4-14-5-7-15(8-6-14)17(22)20(9-10-21)12-16-11-18-13(2)19-16/h5-8,11,21H,3-4,9-10,12H2,1-2H3,(H,18,19)
InChIKeyPKSIZDZARCRSPQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.31
Rot. Bonds7

About N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide (PubChem CID 135112894) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide
PubChem CID135112894
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)N(CCO)Cc2cnc(C)[nH]2)cc1
InChIInChI=1S/C17H23N3O2/c1-3-4-14-5-7-15(8-6-14)17(22)20(9-10-21)12-16-11-18-13(2)19-16/h5-8,11,21H,3-4,9-10,12H2,1-2H3,(H,18,19)
InChIKeyPKSIZDZARCRSPQ-UHFFFAOYSA-N
XLogP2.31
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide
CID 135115238
N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide
CID 135105886
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide
CID 135115054
N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide
CID 135120142
3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
CID 135094045
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 135093344
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide
CID 135108638
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
CID 135110171
N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide
CID 135090545
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]acetamide
CID 135106203

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide (CID 135112894) is N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide is CCCc1ccc(C(=O)N(CCO)Cc2cnc(C)[nH]2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide?
The InChIKey is PKSIZDZARCRSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-4-14-5-7-15(8-6-14)17(22)20(9-10-21)12-16-11-18-13(2)19-16/h5-8,11,21H,3-4,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide?
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide has a molecular weight of 301.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide is sourced from PubChem (CID 135112894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).