1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol

C22H20FN3O — CID 175830957

IUPAC1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol
SMILESCCC(O)n1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc21
InChIInChI=1S/C22H20FN3O/c1-3-21(27)26-13-25-19-9-7-15(12-20(19)26)17-5-4-10-24-22(17)16-6-8-18(23)14(2)11-16/h4-13,21,27H,3H2,1-2H3
InChIKeyJERMJNROYSADJW-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.11
Rot. Bonds4

About 1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol

1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol (PubChem CID 175830957) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol
PubChem CID175830957
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol
SMILESCCC(O)n1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc21
InChIInChI=1S/C22H20FN3O/c1-3-21(27)26-13-25-19-9-7-15(12-20(19)26)17-5-4-10-24-22(17)16-6-8-18(23)14(2)11-16/h4-13,21,27H,3H2,1-2H3
InChIKeyJERMJNROYSADJW-UHFFFAOYSA-N
XLogP5.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]methanediol
CID 138474219
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 90094224
7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine
CID 90094854
2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
CID 90096296
1-[[2-amino-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]propan-2-ol
CID 139453678
1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine
CID 167216812
tris[[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]methyl] phosphate
CID 90094866
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine
CID 90095810
4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;3-(3-fluoro-4-nitrophenyl)-2-(3-methylphenyl)pyridine
CID 175031448
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 90095592
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-phenylimidazo[1,5-a]pyridin-3-amine
CID 175830895

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol (CID 175830957) is 1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol is CCC(O)n1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc21.
What is the InChIKey of 1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol?
The InChIKey is JERMJNROYSADJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-3-21(27)26-13-25-19-9-7-15(12-20(19)26)17-5-4-10-24-22(17)16-6-8-18(23)14(2)11-16/h4-13,21,27H,3H2,1-2H3.
What are the key properties of 1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol?
1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol has a molecular weight of 361.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 175830957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).