4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine

C19H16ClFN6 — CID 90177222

IUPAC4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine
SMILESCCc1nc2ccccc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClFN6/c1-2-15-24-13-5-3-4-6-14(13)27(15)19-25-17(22)16(21)18(26-19)23-12-9-7-11(20)8-10-12/h3-10H,2H2,1H3,(H3,22,23,25,26)
InChIKeyJOGHAGASWBJPDO-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.50
Rot. Bonds4

About 4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine

4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine (PubChem CID 90177222) has the molecular formula C19H16ClFN6 and a molecular weight of 382.83 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine
PubChem CID90177222
Molecular FormulaC19H16ClFN6
Molecular Weight382.83 g/mol
Exact Mass382.11
IUPAC Name4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine
SMILESCCc1nc2ccccc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClFN6/c1-2-15-24-13-5-3-4-6-14(13)27(15)19-25-17(22)16(21)18(26-19)23-12-9-7-11(20)8-10-12/h3-10H,2H2,1H3,(H3,22,23,25,26)
InChIKeyJOGHAGASWBJPDO-UHFFFAOYSA-N
XLogP4.50
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766788
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-N-(4-chloro-3-fluorophenyl)-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 118095434
5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766646
4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 163578562
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
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
5-fluoro-4-N-(3-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 90178193
5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 161274052
2-N-(4-chlorophenyl)-6-(2-ethyl-4,6-difluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 118101930
2-(6-amino-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 90182221
4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine
CID 163440865

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine (CID 90177222) is 4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine is CCc1nc2ccccc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine?
The InChIKey is JOGHAGASWBJPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN6/c1-2-15-24-13-5-3-4-6-14(13)27(15)19-25-17(22)16(21)18(26-19)23-12-9-7-11(20)8-10-12/h3-10H,2H2,1H3,(H3,22,23,25,26).
What are the key properties of 4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine?
4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine has a molecular weight of 382.83 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine is sourced from PubChem (CID 90177222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).