4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol

C24H18FN3O — CID 123337979

IUPAC4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol
SMILESCn1cnc2ccc(-c3ccc(Cc4c(O)cnc5ccccc45)c(F)c3)cc21
InChIInChI=1S/C24H18FN3O/c1-28-14-27-22-9-8-16(12-23(22)28)15-6-7-17(20(25)11-15)10-19-18-4-2-3-5-21(18)26-13-24(19)29/h2-9,11-14,29H,10H2,1H3
InChIKeySDADCOHGMKPJRV-UHFFFAOYSA-N
MW383.43 g/mol
LogP5.22
Rot. Bonds3

About 4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol

4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol (PubChem CID 123337979) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol.

Molecular Properties

Compound Name4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol
PubChem CID123337979
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol
SMILESCn1cnc2ccc(-c3ccc(Cc4c(O)cnc5ccccc45)c(F)c3)cc21
InChIInChI=1S/C24H18FN3O/c1-28-14-27-22-9-8-16(12-23(22)28)15-6-7-17(20(25)11-15)10-19-18-4-2-3-5-21(18)26-13-24(19)29/h2-9,11-14,29H,10H2,1H3
InChIKeySDADCOHGMKPJRV-UHFFFAOYSA-N
XLogP5.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-Fluoranylimidazol-1-yl)methyl]quinolin-8-ol
CID 135121918
4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]phenol
CID 168287758
5-(1H-benzimidazol-1-ylmethyl)-8-quinolinol
CID 878890
5-[(E)-(1-methyl-1H-benzimidazol-2-yl)diazenyl]quinolin-8-ol
CID 3113698
2,6-Difluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168269366
2-Methyl-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168274980
2-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168275450
4-[2-Methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168281720
3-Fluoro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168295195
3-[3-Ethyl-2-[(3-fluoro-2-pyridinyl)-hydroxy-phenylmethyl]benzimidazol-5-yl]propan-1-ol
CID 118515943
3-[3-Ethyl-2-[(2-fluorophenyl)-hydroxy-(3-methyl-2-pyridinyl)methyl]benzimidazol-5-yl]propan-1-ol
CID 126726351
3-[3-Ethyl-2-[(4-fluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]benzimidazol-5-yl]propan-1-ol
CID 126726358

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol?
The IUPAC name of 4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol (CID 123337979) is 4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol.
What is the SMILES notation for 4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol?
The canonical SMILES for 4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol is Cn1cnc2ccc(-c3ccc(Cc4c(O)cnc5ccccc45)c(F)c3)cc21.
What is the InChIKey of 4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol?
The InChIKey is SDADCOHGMKPJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c1-28-14-27-22-9-8-16(12-23(22)28)15-6-7-17(20(25)11-15)10-19-18-4-2-3-5-21(18)26-13-24(19)29/h2-9,11-14,29H,10H2,1H3.
What are the key properties of 4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol?
4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol has a molecular weight of 383.43 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]quinolin-3-ol is sourced from PubChem (CID 123337979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).