[5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine

C14H11F2N3O — CID 103386793

IUPAC[5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine
SMILESNCc1ccc(-c2ncc(-c3ccc(F)c(F)c3)[nH]2)o1
InChIInChI=1S/C14H11F2N3O/c15-10-3-1-8(5-11(10)16)12-7-18-14(19-12)13-4-2-9(6-17)20-13/h1-5,7H,6,17H2,(H,18,19)
InChIKeyZXKVZLBBCKSZTM-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.07
Rot. Bonds3

About [5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine

[5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine (PubChem CID 103386793) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is [5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine
PubChem CID103386793
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name[5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine
SMILESNCc1ccc(-c2ncc(-c3ccc(F)c(F)c3)[nH]2)o1
InChIInChI=1S/C14H11F2N3O/c15-10-3-1-8(5-11(10)16)12-7-18-14(19-12)13-4-2-9(6-17)20-13/h1-5,7H,6,17H2,(H,18,19)
InChIKeyZXKVZLBBCKSZTM-UHFFFAOYSA-N
XLogP3.07
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(5-methyl-1H-imidazol-2-yl)furan-2-yl]methanamine
CID 103386742
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650814
[5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine
CID 62812550
5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651162
[5-(2,4,5-trifluorophenyl)furan-2-yl]methanamine
CID 62809877
[4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine
CID 116877873
4-chloro-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386914
1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476987
[5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 82809820
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]pyridin-4-amine
CID 102970530
N-[[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60851239
4-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]pyridin-2-amine
CID 102970517

Frequently Asked Questions

What is the IUPAC name of [5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine?
The IUPAC name of [5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine (CID 103386793) is [5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine?
The canonical SMILES for [5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine is NCc1ccc(-c2ncc(-c3ccc(F)c(F)c3)[nH]2)o1.
What is the InChIKey of [5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine?
The InChIKey is ZXKVZLBBCKSZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c15-10-3-1-8(5-11(10)16)12-7-18-14(19-12)13-4-2-9(6-17)20-13/h1-5,7H,6,17H2,(H,18,19).
What are the key properties of [5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine?
[5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine has a molecular weight of 275.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]furan-2-yl]methanamine is sourced from PubChem (CID 103386793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).