[5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol

C25H21FN4O2 — CID 58515592

IUPAC[5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol
SMILESCc1ncoc1-c1ccc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)cc1CO
InChIInChI=1S/C25H21FN4O2/c1-15-24(32-14-27-15)20-11-10-19(12-17(20)13-31)28-21-4-3-5-22-23(21)29-25(30(22)2)16-6-8-18(26)9-7-16/h3-12,14,28,31H,13H2,1-2H3
InChIKeyYTDOQTWPTWSRHB-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.58
Rot. Bonds5

About [5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol

[5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol (PubChem CID 58515592) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is [5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol
PubChem CID58515592
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name[5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol
SMILESCc1ncoc1-c1ccc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)cc1CO
InChIInChI=1S/C25H21FN4O2/c1-15-24(32-14-27-15)20-11-10-19(12-17(20)13-31)28-21-4-3-5-22-23(21)29-25(30(22)2)16-6-8-18(26)9-7-16/h3-12,14,28,31H,13H2,1-2H3
InChIKeyYTDOQTWPTWSRHB-UHFFFAOYSA-N
XLogP5.58
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol
CID 58515566
2-(4-fluorophenyl)-N-[3-methoxy-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine
CID 66679084
[6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 58065694
5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde
CID 91268630
[5-[[2-(4-fluorophenyl)-5-(3-methoxyprop-1-ynyl)-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol
CID 58065727
2-(3-chlorophenyl)-N-[6-(4-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine
CID 67004907
2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 46861576
2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,6-dimethylimidazo[4,5-c]pyridin-4-amine
CID 67004612
[5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methylimidazol-1-yl)phenyl]methanol
CID 58449879
2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 66679431
N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-1,6-dimethylimidazo[4,5-c]pyridin-4-amine;methanesulfonic acid
CID 46869587
2-(4-fluorophenyl)-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine
CID 66678923

Frequently Asked Questions

What is the IUPAC name of [5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol?
The IUPAC name of [5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol (CID 58515592) is [5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol.
What is the SMILES notation for [5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol?
The canonical SMILES for [5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol is Cc1ncoc1-c1ccc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)cc1CO.
What is the InChIKey of [5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol?
The InChIKey is YTDOQTWPTWSRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-15-24(32-14-27-15)20-11-10-19(12-17(20)13-31)28-21-4-3-5-22-23(21)29-25(30(22)2)16-6-8-18(26)9-7-16/h3-12,14,28,31H,13H2,1-2H3.
What are the key properties of [5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol?
[5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol has a molecular weight of 428.47 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol is sourced from PubChem (CID 58515592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).