2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide

C16H21N3O2 — CID 70199689

IUPAC2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide
SMILESC[C@H](O)C(CCCc1ccccc1)c1ncc(C(N)=O)[nH]1
InChIInChI=1S/C16H21N3O2/c1-11(20)13(16-18-10-14(19-16)15(17)21)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11,13,20H,5,8-9H2,1H3,(H2,17,21)(H,18,19)/t11-,13?/m0/s1
InChIKeyFJFWRDAOBCMRMW-AMGKYWFPSA-N
MW287.36 g/mol
LogP2.00
Rot. Bonds7

About 2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide

2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide (PubChem CID 70199689) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide
PubChem CID70199689
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide
SMILESC[C@H](O)C(CCCc1ccccc1)c1ncc(C(N)=O)[nH]1
InChIInChI=1S/C16H21N3O2/c1-11(20)13(16-18-10-14(19-16)15(17)21)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11,13,20H,5,8-9H2,1H3,(H2,17,21)(H,18,19)/t11-,13?/m0/s1
InChIKeyFJFWRDAOBCMRMW-AMGKYWFPSA-N
XLogP2.00
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4S)-1-(2-chlorophenyl)-4-phenylmethoxypentan-3-yl]-1H-imidazole-5-carboxamide
CID 70095661
3-methyl-6-phenylhexan-2-ol
CID 54498182
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024
methyl 2-(1-bromoethyl)-5-phenylpentanoate
CID 175234788
6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612
3-methyl-6-phenylhexan-2-one
CID 59396975
(3R)-6-phenyl-3-propan-2-ylhex-1-en-2-amine
CID 146244577
(2S,3R)-3-hydroxy-2-methyl-7-phenylheptanoic acid
CID 57188911
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
2-hydroxy-8-phenyloctanamide
CID 66822616
3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one
CID 139254931

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide (CID 70199689) is 2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide is C[C@H](O)C(CCCc1ccccc1)c1ncc(C(N)=O)[nH]1.
What is the InChIKey of 2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide?
The InChIKey is FJFWRDAOBCMRMW-AMGKYWFPSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(20)13(16-18-10-14(19-16)15(17)21)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11,13,20H,5,8-9H2,1H3,(H2,17,21)(H,18,19)/t11-,13?/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide?
2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxy-6-phenylhexan-3-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 70199689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).