[3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol

C18H15FN4O2 — CID 136960147

IUPAC[3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol
SMILESCOc1ccc2nc(-c3cc(-c4ccc(CO)cc4F)n[nH]3)[nH]c2c1
InChIInChI=1S/C18H15FN4O2/c1-25-11-3-5-14-16(7-11)21-18(20-14)17-8-15(22-23-17)12-4-2-10(9-24)6-13(12)19/h2-8,24H,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyUBOOSYRIBNNWKK-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.26
Rot. Bonds4

About [3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol

[3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol (PubChem CID 136960147) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is [3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol
PubChem CID136960147
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name[3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol
SMILESCOc1ccc2nc(-c3cc(-c4ccc(CO)cc4F)n[nH]3)[nH]c2c1
InChIInChI=1S/C18H15FN4O2/c1-25-11-3-5-14-16(7-11)21-18(20-14)17-8-15(22-23-17)12-4-2-10(9-24)6-13(12)19/h2-8,24H,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyUBOOSYRIBNNWKK-UHFFFAOYSA-N
XLogP3.26
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-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

[3-methoxy-4-[5-(6-nitro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol
CID 136960166
6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 136929757
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-chloro-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole;2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole;[3-fluoro-4-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;6-fluoro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 161386373
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
2-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-nitro-1H-benzimidazole
CID 136929767
6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 102883699
5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929686
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
2-(chloromethyl)-6-methoxy-1H-benzimidazole;methane;(6-methoxy-1H-benzimidazol-2-yl)methanol
CID 161003256
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017648

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol (CID 136960147) is [3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol is COc1ccc2nc(-c3cc(-c4ccc(CO)cc4F)n[nH]3)[nH]c2c1.
What is the InChIKey of [3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol?
The InChIKey is UBOOSYRIBNNWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-25-11-3-5-14-16(7-11)21-18(20-14)17-8-15(22-23-17)12-4-2-10(9-24)6-13(12)19/h2-8,24H,9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of [3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol?
[3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol has a molecular weight of 338.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol is sourced from PubChem (CID 136960147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).