N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide

C17H23N3O2 — CID 19422021

IUPACN-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide
SMILESCCC(O)(c1ccc(C(=O)NC(C)(C)C)cc1)c1cnc[nH]1
InChIInChI=1S/C17H23N3O2/c1-5-17(22,14-10-18-11-19-14)13-8-6-12(7-9-13)15(21)20-16(2,3)4/h6-11,22H,5H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyQQFKXXJGYLXCIC-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.58
Rot. Bonds4

About N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide

N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide (PubChem CID 19422021) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide
PubChem CID19422021
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide
SMILESCCC(O)(c1ccc(C(=O)NC(C)(C)C)cc1)c1cnc[nH]1
InChIInChI=1S/C17H23N3O2/c1-5-17(22,14-10-18-11-19-14)13-8-6-12(7-9-13)15(21)20-16(2,3)4/h6-11,22H,5H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyQQFKXXJGYLXCIC-UHFFFAOYSA-N
XLogP2.58
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Orteronel
CID 9796590
6-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-N-methyl-2-naphthamide
CID 9883029
Orteronel, (R)-
CID 10335364
2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 46845425
rac-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-1,2-dihydro-3H-benzo[e]isoindol-3-one
CID 9861918
6-(7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 9880846
6-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl)-N-isopropyl-2-naphthamide
CID 9906455
N-ethyl-6-(7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)naphthalene-2-carboxamide
CID 9923132
6-(1-Hydroxy-1-(1H-imidazol-4-yl)-2-methyl-propyl)-N-methyl-2-naphthamide
CID 9927224
rac-1-[1,1''-Biphenyl]-4-yl-1-(1H-imidazol-4-yl)-2-methyl-1-propanol
CID 12043372
7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-2-methyl-1,2-dihydro-3H-benzo[e]isoindol-3-one
CID 12074093
rac-6-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-2,3-dihydro-1H-benzo[f]isoindol-1-one
CID 12074102

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide?
The IUPAC name of N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide (CID 19422021) is N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide is CCC(O)(c1ccc(C(=O)NC(C)(C)C)cc1)c1cnc[nH]1.
What is the InChIKey of N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide?
The InChIKey is QQFKXXJGYLXCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-17(22,14-10-18-11-19-14)13-8-6-12(7-9-13)15(21)20-16(2,3)4/h6-11,22H,5H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide?
N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide is sourced from PubChem (CID 19422021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).