N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine

C11H11F2N3 — CID 106570305

IUPACN-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine
SMILESFc1cc(F)cc(CCNc2ncc[nH]2)c1
InChIInChI=1S/C11H11F2N3/c12-9-5-8(6-10(13)7-9)1-2-14-11-15-3-4-16-11/h3-7H,1-2H2,(H2,14,15,16)
InChIKeyHDUPZIYYEYGGOX-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.34
Rot. Bonds4

About N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine

N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine (PubChem CID 106570305) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine
PubChem CID106570305
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine
SMILESFc1cc(F)cc(CCNc2ncc[nH]2)c1
InChIInChI=1S/C11H11F2N3/c12-9-5-8(6-10(13)7-9)1-2-14-11-15-3-4-16-11/h3-7H,1-2H2,(H2,14,15,16)
InChIKeyHDUPZIYYEYGGOX-UHFFFAOYSA-N
XLogP2.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one
CID 115657362
N-[(4-fluorophenyl)methyl]-1H-imidazol-2-amine
CID 83697845
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
CID 106577175
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine
CID 62615088
1-[2-(3-fluorophenyl)ethyl]-3-(1H-imidazol-2-yl)thiourea
CID 19703276
N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 113305702
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
CID 113482614
N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601400
2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine
CID 55093624
4-[2-(3,5-difluorophenyl)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956551
N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273852
N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine
CID 106572055

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine (CID 106570305) is N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine is Fc1cc(F)cc(CCNc2ncc[nH]2)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine?
The InChIKey is HDUPZIYYEYGGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c12-9-5-8(6-10(13)7-9)1-2-14-11-15-3-4-16-11/h3-7H,1-2H2,(H2,14,15,16).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine?
N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine has a molecular weight of 223.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine is sourced from PubChem (CID 106570305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).