5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine

C14H17Cl2N3 — CID 71131911

IUPAC5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1(C)[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1C1CN=C(N)N1
InChIInChI=1S/C14H17Cl2N3/c1-14(2)11(7-3-4-8(15)9(16)5-7)12(14)10-6-18-13(17)19-10/h3-5,10-12H,6H2,1-2H3,(H3,17,18,19)/t10?,11-,12-/m1/s1
InChIKeyUOUONTRFBZAEBD-PQDIPPBSSA-N
MW298.22 g/mol
LogP3.02
Rot. Bonds2

About 5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine

5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 71131911) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID71131911
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1(C)[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1C1CN=C(N)N1
InChIInChI=1S/C14H17Cl2N3/c1-14(2)11(7-3-4-8(15)9(16)5-7)12(14)10-6-18-13(17)19-10/h3-5,10-12H,6H2,1-2H3,(H3,17,18,19)/t10?,11-,12-/m1/s1
InChIKeyUOUONTRFBZAEBD-PQDIPPBSSA-N
XLogP3.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine (CID 71131911) is 5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine is CC1(C)[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1C1CN=C(N)N1.
What is the InChIKey of 5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is UOUONTRFBZAEBD-PQDIPPBSSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-14(2)11(7-3-4-8(15)9(16)5-7)12(14)10-6-18-13(17)19-10/h3-5,10-12H,6H2,1-2H3,(H3,17,18,19)/t10?,11-,12-/m1/s1.
What are the key properties of 5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine?
5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 298.22 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,3R)-3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 71131911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).