4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide

C18H25N3O2 — CID 135092744

IUPAC4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
SMILESCc1[nH]cnc1CN(CCO)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H25N3O2/c1-13-16(20-12-19-13)11-21(9-10-22)17(23)14-5-7-15(8-6-14)18(2,3)4/h5-8,12,22H,9-11H2,1-4H3,(H,19,20)
InChIKeyVMFRLVIENQEAAL-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.65
Rot. Bonds5

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

4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide (PubChem CID 135092744) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
PubChem CID135092744
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
SMILESCc1[nH]cnc1CN(CCO)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H25N3O2/c1-13-16(20-12-19-13)11-21(9-10-22)17(23)14-5-7-15(8-6-14)18(2,3)4/h5-8,12,22H,9-11H2,1-4H3,(H,19,20)
InChIKeyVMFRLVIENQEAAL-UHFFFAOYSA-N
XLogP2.65
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-7-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135097372
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135105196
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide
CID 135110929
N-[2-(dimethylamino)ethyl]-4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
CID 135120852
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
CID 135098097
4-(azepan-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]butanamide
CID 135098463
N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide
CID 135116618
N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
CID 135105751
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135100516
N-(2-hydroxyethyl)-4-(3-hydroxy-3-methylbutyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide
CID 135105886
2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
CID 61011522
N,N-bis(2-hydroxyethyl)-4-(2,2,5,5-tetramethylheptan-4-yl)benzamide
CID 174314090

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide (CID 135092744) is 4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide is Cc1[nH]cnc1CN(CCO)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide?
The InChIKey is VMFRLVIENQEAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-16(20-12-19-13)11-21(9-10-22)17(23)14-5-7-15(8-6-14)18(2,3)4/h5-8,12,22H,9-11H2,1-4H3,(H,19,20).
What are the key properties of 4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide?
4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide is sourced from PubChem (CID 135092744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).