N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine

C14H15F2N3 — CID 60865893

IUPACN-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
SMILESFc1ccc(F)c(-c2cnc(CCNC3CC3)[nH]2)c1
InChIInChI=1S/C14H15F2N3/c15-9-1-4-12(16)11(7-9)13-8-18-14(19-13)5-6-17-10-2-3-10/h1,4,7-8,10,17H,2-3,5-6H2,(H,18,19)
InChIKeyAFRAQECTJZETEY-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.65
Rot. Bonds5

About N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine

N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine (PubChem CID 60865893) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
PubChem CID60865893
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
SMILESFc1ccc(F)c(-c2cnc(CCNC3CC3)[nH]2)c1
InChIInChI=1S/C14H15F2N3/c15-9-1-4-12(16)11(7-9)13-8-18-14(19-13)5-6-17-10-2-3-10/h1,4,7-8,10,17H,2-3,5-6H2,(H,18,19)
InChIKeyAFRAQECTJZETEY-UHFFFAOYSA-N
XLogP2.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60868569
N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867500
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60866079
N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60854362
N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 63925780
N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine
CID 70074424
N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867861
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116877050
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876929
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43651028

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine (CID 60865893) is N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine is Fc1ccc(F)c(-c2cnc(CCNC3CC3)[nH]2)c1.
What is the InChIKey of N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is AFRAQECTJZETEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-9-1-4-12(16)11(7-9)13-8-18-14(19-13)5-6-17-10-2-3-10/h1,4,7-8,10,17H,2-3,5-6H2,(H,18,19).
What are the key properties of N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 263.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 60865893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).