5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine

C26H24ClFN6 — CID 11705579

IUPAC5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
SMILESCC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4Cl)nc3-c3ccccc3)nc21
InChIInChI=1S/C26H24ClFN6/c1-26(2,3)14-34-24-19(31-25(34)29)13-12-18(30-24)22-21(15-8-5-4-6-9-15)32-23(33-22)20-16(27)10-7-11-17(20)28/h4-13H,14H2,1-3H3,(H2,29,31)(H,32,33)
InChIKeyBRHNCIBOZIFCJP-UHFFFAOYSA-N
MW474.97 g/mol
LogP6.58
Rot. Bonds4

About 5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine

5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 11705579) has the molecular formula C26H24ClFN6 and a molecular weight of 474.97 g/mol. Its IUPAC name is 5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID11705579
Molecular FormulaC26H24ClFN6
Molecular Weight474.97 g/mol
Exact Mass474.17
IUPAC Name5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
SMILESCC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4Cl)nc3-c3ccccc3)nc21
InChIInChI=1S/C26H24ClFN6/c1-26(2,3)14-34-24-19(31-25(34)29)13-12-18(30-24)22-21(15-8-5-4-6-9-15)32-23(33-22)20-16(27)10-7-11-17(20)28/h4-13H,14H2,1-3H3,(H2,29,31)(H,32,33)
InChIKeyBRHNCIBOZIFCJP-UHFFFAOYSA-N
XLogP6.58
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.97
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine
CID 87616844
5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 87607413
5-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-2-methylimidazo[4,5-b]pyridine;methanesulfonic acid
CID 87615869
3-butyl-5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
CID 87616607
5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine;dihydrochloride
CID 68870770
5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine
CID 87616211
6-[2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2,3-diamine
CID 68866740
5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 87616219
5-(1-butylimidazol-4-yl)-2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazole
CID 172825375
[[5-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]amino] methanesulfonate
CID 87616450
6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 11756689
3-amino-6-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]pyridine-2-carboxamide
CID 68867369

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine (CID 11705579) is 5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine is CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4Cl)nc3-c3ccccc3)nc21.
What is the InChIKey of 5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is BRHNCIBOZIFCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN6/c1-26(2,3)14-34-24-19(31-25(34)29)13-12-18(30-24)22-21(15-8-5-4-6-9-15)32-23(33-22)20-16(27)10-7-11-17(20)28/h4-13H,14H2,1-3H3,(H2,29,31)(H,32,33).
What are the key properties of 5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine?
5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 474.97 g/mol, XLogP of 6.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 11705579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).