2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine

C18H15ClFN7 — CID 118095434

IUPAC2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C18H15ClFN7/c1-2-15-23-13-5-3-4-6-14(13)27(15)18-25-16(21)24-17(26-18)22-10-7-8-11(19)12(20)9-10/h3-9H,2H2,1H3,(H3,21,22,24,25,26)
InChIKeyARRYCMKVXLDHKW-UHFFFAOYSA-N
MW383.82 g/mol
LogP3.89
Rot. Bonds4

About 2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 118095434) has the molecular formula C18H15ClFN7 and a molecular weight of 383.82 g/mol. Its IUPAC name is 2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID118095434
Molecular FormulaC18H15ClFN7
Molecular Weight383.82 g/mol
Exact Mass383.11
IUPAC Name2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C18H15ClFN7/c1-2-15-23-13-5-3-4-6-14(13)27(15)18-25-16(21)24-17(26-18)22-10-7-8-11(19)12(20)9-10/h3-9H,2H2,1H3,(H3,21,22,24,25,26)
InChIKeyARRYCMKVXLDHKW-UHFFFAOYSA-N
XLogP3.89
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.82
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine
CID 90177222
2-N-(4-chlorophenyl)-6-(2-ethyl-4,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 118101930
6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 118095453
6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 77050703
2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 118095441
2-(2-ethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766788
6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,3,5-triazine-2,4-diamine
CID 118095548
4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine
CID 163440865
2-(2-ethylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 159358946
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-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762147
4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 62870784

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 118095434) is 2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine is CCc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ARRYCMKVXLDHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN7/c1-2-15-23-13-5-3-4-6-14(13)27(15)18-25-16(21)24-17(26-18)22-10-7-8-11(19)12(20)9-10/h3-9H,2H2,1H3,(H3,21,22,24,25,26).
What are the key properties of 2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 383.82 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118095434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).