1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole

C18H19FN2O — CID 3666189

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
SMILESCOc1ccc(Cn2c(C(C)C)nc3ccccc32)cc1F
InChIInChI=1S/C18H19FN2O/c1-12(2)18-20-15-6-4-5-7-16(15)21(18)11-13-8-9-17(22-3)14(19)10-13/h4-10,12H,11H2,1-3H3
InChIKeyCRZXWCZTELDVDM-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.36
Rot. Bonds4

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole

1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole (PubChem CID 3666189) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
PubChem CID3666189
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
SMILESCOc1ccc(Cn2c(C(C)C)nc3ccccc32)cc1F
InChIInChI=1S/C18H19FN2O/c1-12(2)18-20-15-6-4-5-7-16(15)21(18)11-13-8-9-17(22-3)14(19)10-13/h4-10,12H,11H2,1-3H3
InChIKeyCRZXWCZTELDVDM-UHFFFAOYSA-N
XLogP4.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 112787945
1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 3835157
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 17496098
3-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144550
2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole
CID 23963358
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996559
(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
CID 7316264
(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54757557
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 42904099
5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-propan-2-ylbenzimidazole
CID 46309795

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole (CID 3666189) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole is COc1ccc(Cn2c(C(C)C)nc3ccccc32)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole?
The InChIKey is CRZXWCZTELDVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-12(2)18-20-15-6-4-5-7-16(15)21(18)11-13-8-9-17(22-3)14(19)10-13/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole?
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole has a molecular weight of 298.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 3666189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).