N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide

C17H23N3O2 — CID 135115054

IUPACN-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide
SMILESCc1ncc(CN(CCO)C(=O)c2cccc(C(C)C)c2)[nH]1
InChIInChI=1S/C17H23N3O2/c1-12(2)14-5-4-6-15(9-14)17(22)20(7-8-21)11-16-10-18-13(3)19-16/h4-6,9-10,12,21H,7-8,11H2,1-3H3,(H,18,19)
InChIKeyIORXCIPURYFMKZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.48
Rot. Bonds6

About N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide (PubChem CID 135115054) 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]-3-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide
PubChem CID135115054
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide
SMILESCc1ncc(CN(CCO)C(=O)c2cccc(C(C)C)c2)[nH]1
InChIInChI=1S/C17H23N3O2/c1-12(2)14-5-4-6-15(9-14)17(22)20(7-8-21)11-16-10-18-13(3)19-16/h4-6,9-10,12,21H,7-8,11H2,1-3H3,(H,18,19)
InChIKeyIORXCIPURYFMKZ-UHFFFAOYSA-N
XLogP2.48
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide
CID 135120142
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide
CID 135112894
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]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 135093344
3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
CID 135094045
3-(2,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
CID 135100113
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
2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
CID 135109608
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 135097073
N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide
CID 135115238

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide (CID 135115054) is N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide is Cc1ncc(CN(CCO)C(=O)c2cccc(C(C)C)c2)[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide?
The InChIKey is IORXCIPURYFMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)14-5-4-6-15(9-14)17(22)20(7-8-21)11-16-10-18-13(3)19-16/h4-6,9-10,12,21H,7-8,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide?
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide has a molecular weight of 301.39 g/mol, XLogP of 2.48, 6 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]-3-propan-2-ylbenzamide is sourced from PubChem (CID 135115054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).