2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole

C20H18FN5O — CID 118095476

IUPAC2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole
SMILESCOc1ccc(N2CN=CN=C2n2c(C3CC3)nc3ccc(F)cc32)cc1
InChIInChI=1S/C20H18FN5O/c1-27-16-7-5-15(6-8-16)25-12-22-11-23-20(25)26-18-10-14(21)4-9-17(18)24-19(26)13-2-3-13/h4-11,13H,2-3,12H2,1H3
InChIKeyIXSITJFBNFNPOA-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.77
Rot. Bonds3

About 2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole

2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole (PubChem CID 118095476) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole
PubChem CID118095476
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole
SMILESCOc1ccc(N2CN=CN=C2n2c(C3CC3)nc3ccc(F)cc32)cc1
InChIInChI=1S/C20H18FN5O/c1-27-16-7-5-15(6-8-16)25-12-22-11-23-20(25)26-18-10-14(21)4-9-17(18)24-19(26)13-2-3-13/h4-11,13H,2-3,12H2,1H3
InChIKeyIXSITJFBNFNPOA-UHFFFAOYSA-N
XLogP3.77
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole
CID 118095555
1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 62376839
6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 118101931
3-[5-fluoro-3-(4-methoxyphenyl)-4H-pyrimidin-2-yl]-2-methylbenzimidazol-5-amine
CID 90178171
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011791
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368
1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine
CID 77456368
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822
6-chloro-1-[3-[4-(difluoromethoxy)phenyl]-4H-pyrimidin-2-yl]-2-methylbenzimidazole
CID 90178068
2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole
CID 83420113
1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole
CID 164670438
2-(chloromethyl)-6-fluoro-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 62377722

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole?
The IUPAC name of 2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole (CID 118095476) is 2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole.
What is the SMILES notation for 2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole?
The canonical SMILES for 2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole is COc1ccc(N2CN=CN=C2n2c(C3CC3)nc3ccc(F)cc32)cc1.
What is the InChIKey of 2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole?
The InChIKey is IXSITJFBNFNPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-27-16-7-5-15(6-8-16)25-12-22-11-23-20(25)26-18-10-14(21)4-9-17(18)24-19(26)13-2-3-13/h4-11,13H,2-3,12H2,1H3.
What are the key properties of 2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole?
2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole has a molecular weight of 363.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoro-1-[3-(4-methoxyphenyl)-2H-1,3,5-triazin-4-yl]benzimidazole is sourced from PubChem (CID 118095476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).