5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine

C13H15ClFN3 — CID 79520794

IUPAC5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Cl)c(F)c2)N1CC1CC1
InChIInChI=1S/C13H15ClFN3/c14-10-4-3-9(5-11(10)15)12-6-17-13(16)18(12)7-8-1-2-8/h3-5,8,12H,1-2,6-7H2,(H2,16,17)
InChIKeyXRPPFYAPSTWYGS-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.56
Rot. Bonds3

About 5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine

5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79520794) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79520794
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Cl)c(F)c2)N1CC1CC1
InChIInChI=1S/C13H15ClFN3/c14-10-4-3-9(5-11(10)15)12-6-17-13(16)18(12)7-8-1-2-8/h3-5,8,12H,1-2,6-7H2,(H2,16,17)
InChIKeyXRPPFYAPSTWYGS-UHFFFAOYSA-N
XLogP2.56
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine (CID 79520794) is 5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(Cl)c(F)c2)N1CC1CC1.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is XRPPFYAPSTWYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c14-10-4-3-9(5-11(10)15)12-6-17-13(16)18(12)7-8-1-2-8/h3-5,8,12H,1-2,6-7H2,(H2,16,17).
What are the key properties of 5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 267.74 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79520794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).