6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine

C20H16F3N7O — CID 118095548

IUPAC6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(OC(F)F)c(F)c2)nc(-n2c(C3CC3)nc3ccccc32)n1
InChIInChI=1S/C20H16F3N7O/c21-12-9-11(7-8-15(12)31-17(22)23)25-19-27-18(24)28-20(29-19)30-14-4-2-1-3-13(14)26-16(30)10-5-6-10/h1-4,7-10,17H,5-6H2,(H3,24,25,27,28,29)
InChIKeyDYUPWKKSNNGLBC-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.15
Rot. Bonds6

About 6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine

6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 118095548) has the molecular formula C20H16F3N7O and a molecular weight of 427.39 g/mol. Its IUPAC name is 6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine
PubChem CID118095548
Molecular FormulaC20H16F3N7O
Molecular Weight427.39 g/mol
Exact Mass427.14
IUPAC Name6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(OC(F)F)c(F)c2)nc(-n2c(C3CC3)nc3ccccc32)n1
InChIInChI=1S/C20H16F3N7O/c21-12-9-11(7-8-15(12)31-17(22)23)25-19-27-18(24)28-20(29-19)30-14-4-2-1-3-13(14)26-16(30)10-5-6-10/h1-4,7-10,17H,5-6H2,(H3,24,25,27,28,29)
InChIKeyDYUPWKKSNNGLBC-UHFFFAOYSA-N
XLogP4.15
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 118095441
2-(2-cyclopropylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine
CID 160660263
6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 118101931
2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 118095434
4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 157222222
6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 122420888
2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 118101997
6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 77050703
2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine
CID 90177927
2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine
CID 118101987
2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 163535704
6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(difluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 118095518

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine (CID 118095548) is 6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2ccc(OC(F)F)c(F)c2)nc(-n2c(C3CC3)nc3ccccc32)n1.
What is the InChIKey of 6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DYUPWKKSNNGLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7O/c21-12-9-11(7-8-15(12)31-17(22)23)25-19-27-18(24)28-20(29-19)30-14-4-2-1-3-13(14)26-16(30)10-5-6-10/h1-4,7-10,17H,5-6H2,(H3,24,25,27,28,29).
What are the key properties of 6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine?
6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 427.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118095548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).