4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol

C17H25N3O — CID 16682611

IUPAC4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
SMILESNC1=NC[C@H](Cc2ccc(O)cc2)N1CC1CCCCC1
InChIInChI=1S/C17H25N3O/c18-17-19-11-15(10-13-6-8-16(21)9-7-13)20(17)12-14-4-2-1-3-5-14/h6-9,14-15,21H,1-5,10-12H2,(H2,18,19)/t15-/m0/s1
InChIKeyWTCMRVJPJMILSH-HNNXBMFYSA-N
MW287.41 g/mol
LogP2.51
Rot. Bonds4

About 4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol

4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol (PubChem CID 16682611) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
PubChem CID16682611
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
SMILESNC1=NC[C@H](Cc2ccc(O)cc2)N1CC1CCCCC1
InChIInChI=1S/C17H25N3O/c18-17-19-11-15(10-13-6-8-16(21)9-7-13)20(17)12-14-4-2-1-3-5-14/h6-9,14-15,21H,1-5,10-12H2,(H2,18,19)/t15-/m0/s1
InChIKeyWTCMRVJPJMILSH-HNNXBMFYSA-N
XLogP2.51
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol?
The IUPAC name of 4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol (CID 16682611) is 4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol.
What is the SMILES notation for 4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol?
The canonical SMILES for 4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol is NC1=NC[C@H](Cc2ccc(O)cc2)N1CC1CCCCC1.
What is the InChIKey of 4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol?
The InChIKey is WTCMRVJPJMILSH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-17-19-11-15(10-13-6-8-16(21)9-7-13)20(17)12-14-4-2-1-3-5-14/h6-9,14-15,21H,1-5,10-12H2,(H2,18,19)/t15-/m0/s1.
What are the key properties of 4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol?
4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol has a molecular weight of 287.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol is sourced from PubChem (CID 16682611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).