4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine

C19H15F3N6 — CID 67461796

IUPAC4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1cc(N)ncn1)c1nc2c(F)cccc2n1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H15F3N6/c1-10(26-17-8-16(23)24-9-25-17)19-27-18-14(22)3-2-4-15(18)28(19)13-6-11(20)5-12(21)7-13/h2-10H,1H3,(H3,23,24,25,26)
InChIKeyLSYWOZRFBDYGBG-UHFFFAOYSA-N
MW384.37 g/mol
LogP3.99
Rot. Bonds4

About 4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine

4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine (PubChem CID 67461796) has the molecular formula C19H15F3N6 and a molecular weight of 384.37 g/mol. Its IUPAC name is 4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine
PubChem CID67461796
Molecular FormulaC19H15F3N6
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC Name4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1cc(N)ncn1)c1nc2c(F)cccc2n1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H15F3N6/c1-10(26-17-8-16(23)24-9-25-17)19-27-18-14(22)3-2-4-15(18)28(19)13-6-11(20)5-12(21)7-13/h2-10H,1H3,(H3,23,24,25,26)
InChIKeyLSYWOZRFBDYGBG-UHFFFAOYSA-N
XLogP3.99
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 67451169
4-amino-6-[1-[1-(3,5-difluorophenyl)-4,6-difluorobenzimidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 58459284
N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide
CID 58459385
2-[1-[[6-amino-5-[2-(5-fluoro-2-pyridinyl)ethynyl]pyrimidin-4-yl]amino]ethyl]-3-(3,5-difluorophenyl)-8-fluoroquinazolin-4-one
CID 90232553
2-[1-[[6-amino-5-(2-pyrazin-2-ylethynyl)pyrimidin-4-yl]amino]ethyl]-3-(3,5-difluorophenyl)-8-fluoroquinazolin-4-one
CID 90232765
4-amino-6-[[(1S)-1-(4,6-difluoro-1-pyridin-3-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 58459274
1-[1-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
CID 58459169
4-N-[(1S)-1-(7-bromo-1-cyclopropyl-6-fluorobenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 141346025
2-[1-[[6-amino-5-(2-pyrazin-2-ylethynyl)pyrimidin-4-yl]amino]ethyl]-8-fluoro-3-(3-fluoro-5-methylphenyl)quinazolin-4-one
CID 90253843
1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 60790109
4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459371
1-(4-bromo-3-fluorophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 65437772

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine (CID 67461796) is 4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine is CC(Nc1cc(N)ncn1)c1nc2c(F)cccc2n1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine?
The InChIKey is LSYWOZRFBDYGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6/c1-10(26-17-8-16(23)24-9-25-17)19-27-18-14(22)3-2-4-15(18)28(19)13-6-11(20)5-12(21)7-13/h2-10H,1H3,(H3,23,24,25,26).
What are the key properties of 4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine?
4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine has a molecular weight of 384.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 67461796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).