5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine

C30H26ClF3N4O — CID 143474907

IUPAC5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine
SMILESCC(F)(F)c1cc(F)cc(C(Cc2ccccc2)c2ccc(Cl)cn2)c1.Nc1nc2cc3c(cc2[nH]1)CCO3
InChIInChI=1S/C21H17ClF3N.C9H9N3O/c1-21(24,25)16-10-15(11-18(23)12-16)19(9-14-5-3-2-4-6-14)20-8-7-17(22)13-26-20;10-9-11-6-3-5-1-2-13-8(5)4-7(6)12-9/h2-8,10-13,19H,9H2,1H3;3-4H,1-2H2,(H3,10,11,12)
InChIKeyROXMMHJTJXQPQL-UHFFFAOYSA-N
MW551.01 g/mol
LogP7.44
Rot. Bonds5

About 5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine

5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine (PubChem CID 143474907) has the molecular formula C30H26ClF3N4O and a molecular weight of 551.01 g/mol. Its IUPAC name is 5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine
PubChem CID143474907
Molecular FormulaC30H26ClF3N4O
Molecular Weight551.01 g/mol
Exact Mass550.17
IUPAC Name5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine
SMILESCC(F)(F)c1cc(F)cc(C(Cc2ccccc2)c2ccc(Cl)cn2)c1.Nc1nc2cc3c(cc2[nH]1)CCO3
InChIInChI=1S/C21H17ClF3N.C9H9N3O/c1-21(24,25)16-10-15(11-18(23)12-16)19(9-14-5-3-2-4-6-14)20-8-7-17(22)13-26-20;10-9-11-6-3-5-1-2-13-8(5)4-7(6)12-9/h2-8,10-13,19H,9H2,1H3;3-4H,1-2H2,(H3,10,11,12)
InChIKeyROXMMHJTJXQPQL-UHFFFAOYSA-N
XLogP7.44
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.01
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine with MolForge

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Related Compounds

Raf265
CID 11656518
2-Aminobenzimidazole, 12
CID 17755723
N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-(quinolin-4-yloxy)-1H-1,3-benzodiazol-2-amine
CID 11477532
(4-chloro-3-trifluoromethyl-phenyl)-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755115
[4-chloro-3-(4-methyl-piperazin-1-ylmethyl)-phenyl]-[5-(2-methylamino-pyrimidin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755215
(4-chloro-3-trifluoromethyl-phenyl)-[5-(pyridin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755722
N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}-1H-1,3-benzodiazol-2-amine
CID 17755724
3-ethyl-1-[6-methoxy-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365988
N-(3-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064750
N-(4-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064288
1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 16064449
N-(3-tert-butylphenyl)-1-methyl-5-[[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 16064748

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine?
The IUPAC name of 5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine (CID 143474907) is 5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine?
The canonical SMILES for 5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine is CC(F)(F)c1cc(F)cc(C(Cc2ccccc2)c2ccc(Cl)cn2)c1.Nc1nc2cc3c(cc2[nH]1)CCO3.
What is the InChIKey of 5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine?
The InChIKey is ROXMMHJTJXQPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N.C9H9N3O/c1-21(24,25)16-10-15(11-18(23)12-16)19(9-14-5-3-2-4-6-14)20-8-7-17(22)13-26-20;10-9-11-6-3-5-1-2-13-8(5)4-7(6)12-9/h2-8,10-13,19H,9H2,1H3;3-4H,1-2H2,(H3,10,11,12).
What are the key properties of 5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine?
5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine has a molecular weight of 551.01 g/mol, XLogP of 7.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-phenylethyl]pyridine;6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine is sourced from PubChem (CID 143474907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).