1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine

C13H16ClN3O — CID 79505504

IUPAC1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CCOC2)N1c1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3O/c14-10-2-1-3-11(6-10)17-12(7-16-13(17)15)9-4-5-18-8-9/h1-3,6,9,12H,4-5,7-8H2,(H2,15,16)
InChIKeyZXJUVZDUAPCWKH-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.88
Rot. Bonds2

About 1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine

1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505504) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79505504
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CCOC2)N1c1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3O/c14-10-2-1-3-11(6-10)17-12(7-16-13(17)15)9-4-5-18-8-9/h1-3,6,9,12H,4-5,7-8H2,(H2,15,16)
InChIKeyZXJUVZDUAPCWKH-UHFFFAOYSA-N
XLogP1.88
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
CID 79515084
1-(4-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
CID 79521626
1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine
CID 79514198
1-(2-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
CID 79505650
1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
CID 79505290
5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79520573
1-(3-chlorophenyl)-5-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79499183
5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79504982
5-(5-chloro-2-fluorophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 114867752
5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79505655
5-(3-bromophenyl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79505730
1-(3-chlorophenyl)-5-(2,4-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79500440

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine (CID 79505504) is 1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine is NC1=NCC(C2CCOC2)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ZXJUVZDUAPCWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-10-2-1-3-11(6-10)17-12(7-16-13(17)15)9-4-5-18-8-9/h1-3,6,9,12H,4-5,7-8H2,(H2,15,16).
What are the key properties of 1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine?
1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 265.74 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).