5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol

C17H19ClN6O — CID 22185382

IUPAC5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol
SMILESCC(C)(CN)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1
InChIInChI=1S/C17H19ClN6O/c1-17(2,8-19)15-23-13(9-3-4-10(18)12(25)7-9)14(24-15)11-5-6-21-16(20)22-11/h3-7,25H,8,19H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyDCTLEVDGGICUNO-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.71
Rot. Bonds4

About 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol

5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol (PubChem CID 22185382) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol.

Molecular Properties

Compound Name5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol
PubChem CID22185382
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol
SMILESCC(C)(CN)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1
InChIInChI=1S/C17H19ClN6O/c1-17(2,8-19)15-23-13(9-3-4-10(18)12(25)7-9)14(24-15)11-5-6-21-16(20)22-11/h3-7,25H,8,19H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyDCTLEVDGGICUNO-UHFFFAOYSA-N
XLogP2.71
TPSA126.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-(4-chlorophenyl)-4-(pyridin-3-yl)-1H-imidazol-2-yl)phenol
CID 388623
L-779,450
CID 9950176
5-(2-(1-amino-2-methylpropan-2-yl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2-chlorophenol
CID 22185475
3-[2-Phenyl-4-(Pyridin-4-Yl)-1h-Imidazol-5-Yl]phenol
CID 10638921
4-(4-chloro-3-hydroxyphenyl)-N-(3-(dimethylamino)propyl)-5-(pyridin-4-yl)-1H-imidazole-2-carboxamide
CID 10222594
N-(2-(4-(4-chloro-3-hydroxyphenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl)-2-methylpropyl)methanesulfonamide
CID 21023795
5-(2-(4-(aminomethyl)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2-chlorophenol
CID 22185379
1-(2-(4-(4-chloro-3-hydroxyphenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl)-2-methylpropyl)-3-(4-chlorophenyl)urea
CID 22185489
4-[2-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1H-imidazol-5-yl]pyridine
CID 44319495
2-chloro-5-(2-(pyridin-3-yl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)phenol
CID 44406460
2-chloro-5-(5-(pyridin-4-yl)-1H-imidazol-4-yl)phenol
CID 22256705
2-chloro-5-(2-phenyl-5-(pyrimidin-4-yl)-1H-imidazol-4-yl)phenol
CID 44406418

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol?
The IUPAC name of 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol (CID 22185382) is 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol.
What is the SMILES notation for 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol?
The canonical SMILES for 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol is CC(C)(CN)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1.
What is the InChIKey of 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol?
The InChIKey is DCTLEVDGGICUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-17(2,8-19)15-23-13(9-3-4-10(18)12(25)7-9)14(24-15)11-5-6-21-16(20)22-11/h3-7,25H,8,19H2,1-2H3,(H,23,24)(H2,20,21,22).
What are the key properties of 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol?
5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol has a molecular weight of 358.83 g/mol, XLogP of 2.71, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol is sourced from PubChem (CID 22185382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).