5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine

C15H12F2N4 — CID 114718720

IUPAC5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cncn2Cc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C15H12F2N4/c16-12-3-1-10(5-13(12)17)8-21-9-19-7-14(21)11-2-4-15(18)20-6-11/h1-7,9H,8H2,(H2,18,20)
InChIKeyWCMZGMIYQWNVLP-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.85
Rot. Bonds3

About 5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine

5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 114718720) has the molecular formula C15H12F2N4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine
PubChem CID114718720
Molecular FormulaC15H12F2N4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cncn2Cc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C15H12F2N4/c16-12-3-1-10(5-13(12)17)8-21-9-19-7-14(21)11-2-4-15(18)20-6-11/h1-7,9H,8H2,(H2,18,20)
InChIKeyWCMZGMIYQWNVLP-UHFFFAOYSA-N
XLogP2.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114719554
5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114716878
5-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]pyridin-2-amine
CID 114721619
5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720404
5-(3-octylimidazol-4-yl)pyridin-2-amine
CID 114721585
5-[3-(2-piperidin-1-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114718674
4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol
CID 114722613
5-[3-(4-bromo-2,5-difluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 107608575
3-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114717841
5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
CID 54965666
4-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720279
5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine
CID 114719509

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine (CID 114718720) is 5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cncn2Cc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is WCMZGMIYQWNVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4/c16-12-3-1-10(5-13(12)17)8-21-9-19-7-14(21)11-2-4-15(18)20-6-11/h1-7,9H,8H2,(H2,18,20).
What are the key properties of 5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine?
5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 286.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114718720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).