1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine

C14H19F2N3O2S — CID 145118195

IUPAC1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCNC1=NCCN1S(=O)c1ccc(OC(C)(F)F)cc1
InChIInChI=1S/C14H19F2N3O2S/c1-3-8-17-13-18-9-10-19(13)22(20)12-6-4-11(5-7-12)21-14(2,15)16/h4-7H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyCIAGQXJQHFEFLH-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.37
Rot. Bonds6

About 1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine

1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine (PubChem CID 145118195) has the molecular formula C14H19F2N3O2S and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine
PubChem CID145118195
Molecular FormulaC14H19F2N3O2S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC Name1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCNC1=NCCN1S(=O)c1ccc(OC(C)(F)F)cc1
InChIInChI=1S/C14H19F2N3O2S/c1-3-8-17-13-18-9-10-19(13)22(20)12-6-4-11(5-7-12)21-14(2,15)16/h4-7H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyCIAGQXJQHFEFLH-UHFFFAOYSA-N
XLogP2.37
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine (CID 145118195) is 1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine is CCCNC1=NCCN1S(=O)c1ccc(OC(C)(F)F)cc1.
What is the InChIKey of 1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine?
The InChIKey is CIAGQXJQHFEFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2S/c1-3-8-17-13-18-9-10-19(13)22(20)12-6-4-11(5-7-12)21-14(2,15)16/h4-7H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine?
1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine has a molecular weight of 331.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethoxy)phenyl]sulfinyl-N-propyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 145118195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).