4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol

C13H16ClN3O — CID 79521592

IUPAC4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol
SMILESNC1=NCC(c2ccc(O)c(Cl)c2)N1CC1CC1
InChIInChI=1S/C13H16ClN3O/c14-10-5-9(3-4-12(10)18)11-6-16-13(15)17(11)7-8-1-2-8/h3-5,8,11,18H,1-2,6-7H2,(H2,15,16)
InChIKeyGULWXNUPZKGVMH-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.13
Rot. Bonds3

About 4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol

4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol (PubChem CID 79521592) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol.

Molecular Properties

Compound Name4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol
PubChem CID79521592
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol
SMILESNC1=NCC(c2ccc(O)c(Cl)c2)N1CC1CC1
InChIInChI=1S/C13H16ClN3O/c14-10-5-9(3-4-12(10)18)11-6-16-13(15)17(11)7-8-1-2-8/h3-5,8,11,18H,1-2,6-7H2,(H2,15,16)
InChIKeyGULWXNUPZKGVMH-UHFFFAOYSA-N
XLogP2.13
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol?
The IUPAC name of 4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol (CID 79521592) is 4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol.
What is the SMILES notation for 4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol?
The canonical SMILES for 4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol is NC1=NCC(c2ccc(O)c(Cl)c2)N1CC1CC1.
What is the InChIKey of 4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol?
The InChIKey is GULWXNUPZKGVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-10-5-9(3-4-12(10)18)11-6-16-13(15)17(11)7-8-1-2-8/h3-5,8,11,18H,1-2,6-7H2,(H2,15,16).
What are the key properties of 4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol?
4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol has a molecular weight of 265.74 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(cyclopropylmethyl)-4,5-dihydroimidazol-4-yl]-2-chlorophenol is sourced from PubChem (CID 79521592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).