2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine

C24H18FN5S — CID 118709723

IUPAC2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine
SMILESFc1ccccc1Nc1cc(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C24H18FN5S/c25-17-10-4-5-11-18(17)26-22-14-21(16-8-2-1-3-9-16)29-24(30-22)31-15-23-27-19-12-6-7-13-20(19)28-23/h1-14H,15H2,(H,27,28)(H,26,29,30)
InChIKeyZAYXZOPWAPMRNN-UHFFFAOYSA-N
MW427.51 g/mol
LogP6.19
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine

2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine (PubChem CID 118709723) has the molecular formula C24H18FN5S and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine
PubChem CID118709723
Molecular FormulaC24H18FN5S
Molecular Weight427.51 g/mol
Exact Mass427.13
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine
SMILESFc1ccccc1Nc1cc(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C24H18FN5S/c25-17-10-4-5-11-18(17)26-22-14-21(16-8-2-1-3-9-16)29-24(30-22)31-15-23-27-19-12-6-7-13-20(19)28-23/h1-14H,15H2,(H,27,28)(H,26,29,30)
InChIKeyZAYXZOPWAPMRNN-UHFFFAOYSA-N
XLogP6.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-butylphenyl)-6-phenylpyrimidin-4-amine
CID 118709721
2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-1H-pyrimidin-6-one
CID 135423688
2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112934451
2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile
CID 46703322
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
CID 764868
2-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 71352960
N-(2-fluorophenyl)-6-phenylpyridazin-3-amine
CID 110273579
2-[(5,6-dichloro-1H-benzimidazol-2-yl)methylsulfanyl]-4-phenyl-1H-pyrimidin-6-one
CID 155807744
2-[2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]-1H-benzimidazole
CID 13163511
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea
CID 46382289
2-(1H-imidazol-2-ylsulfanylmethyl)-1H-benzimidazole
CID 121223242

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine (CID 118709723) is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine is Fc1ccccc1Nc1cc(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine?
The InChIKey is ZAYXZOPWAPMRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5S/c25-17-10-4-5-11-18(17)26-22-14-21(16-8-2-1-3-9-16)29-24(30-22)31-15-23-27-19-12-6-7-13-20(19)28-23/h1-14H,15H2,(H,27,28)(H,26,29,30).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine?
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine has a molecular weight of 427.51 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-fluorophenyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 118709723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).