N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide

C20H23N3O2 — CID 70040039

IUPACN-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide
SMILESC[C@H](O)[C@@H](CCCc1ccc2ccccc2c1)NC(=O)c1cnc[nH]1
InChIInChI=1S/C20H23N3O2/c1-14(24)18(23-20(25)19-12-21-13-22-19)8-4-5-15-9-10-16-6-2-3-7-17(16)11-15/h2-3,6-7,9-14,18,24H,4-5,8H2,1H3,(H,21,22)(H,23,25)/t14-,18+/m0/s1
InChIKeyUCFQJIRCDFRMAV-KBXCAEBGSA-N
MW337.42 g/mol
LogP3.07
Rot. Bonds7

About N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide

N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide (PubChem CID 70040039) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide
PubChem CID70040039
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide
SMILESC[C@H](O)[C@@H](CCCc1ccc2ccccc2c1)NC(=O)c1cnc[nH]1
InChIInChI=1S/C20H23N3O2/c1-14(24)18(23-20(25)19-12-21-13-22-19)8-4-5-15-9-10-16-6-2-3-7-17(16)11-15/h2-3,6-7,9-14,18,24H,4-5,8H2,1H3,(H,21,22)(H,23,25)/t14-,18+/m0/s1
InChIKeyUCFQJIRCDFRMAV-KBXCAEBGSA-N
XLogP3.07
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide
CID 70203096
N-[(3R,4S)-4-hydroxy-1-(2-methylsulfinylphenyl)pentan-3-yl]-1H-imidazole-5-carboxamide
CID 70096985
N-[(3R,4S)-1-(2,3-dimethylphenyl)-4-hydroxypentan-3-yl]-1H-imidazole-5-carboxamide
CID 70097242
N-[(3R,4S)-1-[2-[3-(dimethylamino)propoxy]phenyl]-4-hydroxypentan-3-yl]-1H-imidazole-5-carboxamide
CID 70098682
N-[(3R,4S)-1-isoquinolin-7-yloxy-4-phenylmethoxypentan-3-yl]-1H-imidazole-5-carboxamide
CID 70038058
N-[(3R,4S)-1-[2-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]-4-hydroxypentan-3-yl]-1H-imidazole-5-carboxamide
CID 67013111
N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
N-[(3R,4S)-1-[2-[(5-bromothiophen-2-yl)methoxy]phenyl]-4-hydroxypentan-3-yl]-1H-imidazole-5-carboxamide
CID 67015039
6-naphthalen-2-ylhexan-2-ol
CID 19933710
N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
CID 104877130
N-naphthalen-1-yl-1H-imidazole-5-carboxamide
CID 110475305

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide (CID 70040039) is N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide is C[C@H](O)[C@@H](CCCc1ccc2ccccc2c1)NC(=O)c1cnc[nH]1.
What is the InChIKey of N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide?
The InChIKey is UCFQJIRCDFRMAV-KBXCAEBGSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(24)18(23-20(25)19-12-21-13-22-19)8-4-5-15-9-10-16-6-2-3-7-17(16)11-15/h2-3,6-7,9-14,18,24H,4-5,8H2,1H3,(H,21,22)(H,23,25)/t14-,18+/m0/s1.
What are the key properties of N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide?
N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-hydroxy-6-naphthalen-2-ylhexan-3-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 70040039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).