N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine

C10H11F2N3 — CID 115601420

IUPACN-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccc(CNC2=NCCN2)cc1F
InChIInChI=1S/C10H11F2N3/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10/h1-2,5H,3-4,6H2,(H2,13,14,15)
InChIKeyBGCVNLSVCNBQED-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.01
Rot. Bonds2

About N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine

N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115601420) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115601420
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccc(CNC2=NCCN2)cc1F
InChIInChI=1S/C10H11F2N3/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10/h1-2,5H,3-4,6H2,(H2,13,14,15)
InChIKeyBGCVNLSVCNBQED-UHFFFAOYSA-N
XLogP1.01
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111414845
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111110782
N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 126766928
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918435
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918426
N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913998
3-[[1-[3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorophenyl]ethenylamino]methyl]benzonitrile
CID 153380020
1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride
CID 18469991
N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914207
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110935572

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 115601420) is N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1ccc(CNC2=NCCN2)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is BGCVNLSVCNBQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10/h1-2,5H,3-4,6H2,(H2,13,14,15).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 211.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115601420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).