6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide

C18H19N3O2 — CID 18769127

IUPAC6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide
SMILESCC(C)C(O)(c1ccc2cc(C(N)=O)ccc2c1)c1cnc[nH]1
InChIInChI=1S/C18H19N3O2/c1-11(2)18(23,16-9-20-10-21-16)15-6-5-12-7-14(17(19)22)4-3-13(12)8-15/h3-11,23H,1-2H3,(H2,19,22)(H,20,21)
InChIKeyTYNRBNIVUWDJAR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.55
Rot. Bonds4

About 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide

6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide (PubChem CID 18769127) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide
PubChem CID18769127
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide
SMILESCC(C)C(O)(c1ccc2cc(C(N)=O)ccc2c1)c1cnc[nH]1
InChIInChI=1S/C18H19N3O2/c1-11(2)18(23,16-9-20-10-21-16)15-6-5-12-7-14(17(19)22)4-3-13(12)8-15/h3-11,23H,1-2H3,(H2,19,22)(H,20,21)
InChIKeyTYNRBNIVUWDJAR-UHFFFAOYSA-N
XLogP2.55
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.55
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-(cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 25025654
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
rac-1-[1,1''-biphenyl]-3-yl-1-(1H-imidazol-4-yl)-2-methyl-1-propanol
CID 9904146
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
GGTI-2151 free base
CID 9938283

Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide?
The IUPAC name of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide (CID 18769127) is 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide is CC(C)C(O)(c1ccc2cc(C(N)=O)ccc2c1)c1cnc[nH]1.
What is the InChIKey of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide?
The InChIKey is TYNRBNIVUWDJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11(2)18(23,16-9-20-10-21-16)15-6-5-12-7-14(17(19)22)4-3-13(12)8-15/h3-11,23H,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide?
6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18769127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).