2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine

C21H18F2N4 — CID 155554994

IUPAC2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCC(C)c1ccc(Nc2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)cc1
InChIInChI=1S/C21H18F2N4/c1-12(2)13-3-6-15(7-4-13)25-21-19-18(9-10-24-21)26-20(27-19)14-5-8-16(22)17(23)11-14/h3-12H,1-2H3,(H,24,25)(H,26,27)
InChIKeyUIYZVYZJHHEOFH-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.77
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine

2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 155554994) has the molecular formula C21H18F2N4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID155554994
Molecular FormulaC21H18F2N4
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Name2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCC(C)c1ccc(Nc2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)cc1
InChIInChI=1S/C21H18F2N4/c1-12(2)13-3-6-15(7-4-13)25-21-19-18(9-10-24-21)26-20(27-19)14-5-8-16(22)17(23)11-14/h3-12H,1-2H3,(H,24,25)(H,26,27)
InChIKeyUIYZVYZJHHEOFH-UHFFFAOYSA-N
XLogP5.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine (CID 155554994) is 2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine is CC(C)c1ccc(Nc2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is UIYZVYZJHHEOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4/c1-12(2)13-3-6-15(7-4-13)25-21-19-18(9-10-24-21)26-20(27-19)14-5-8-16(22)17(23)11-14/h3-12H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 364.40 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(4-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 155554994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).