[3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol

C23H21F2N5O2 — CID 69195584

IUPAC[3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol
SMILESOCc1cccc(-c2cc(-c3cccc4[nH]c(C(F)F)nc34)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H21F2N5O2/c24-21(25)22-26-17-6-2-5-16(20(17)29-22)19-12-18(15-4-1-3-14(11-15)13-31)27-23(28-19)30-7-9-32-10-8-30/h1-6,11-12,21,31H,7-10,13H2,(H,26,29)
InChIKeyIRUTZOPRNGHZEQ-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.95
Rot. Bonds5

About [3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol

[3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol (PubChem CID 69195584) has the molecular formula C23H21F2N5O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is [3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol
PubChem CID69195584
Molecular FormulaC23H21F2N5O2
Molecular Weight437.45 g/mol
Exact Mass437.17
IUPAC Name[3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol
SMILESOCc1cccc(-c2cc(-c3cccc4[nH]c(C(F)F)nc34)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H21F2N5O2/c24-21(25)22-26-17-6-2-5-16(20(17)29-22)19-12-18(15-4-1-3-14(11-15)13-31)27-23(28-19)30-7-9-32-10-8-30/h1-6,11-12,21,31H,7-10,13H2,(H,26,29)
InChIKeyIRUTZOPRNGHZEQ-UHFFFAOYSA-N
XLogP3.95
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

bis(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-3-piperidin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine
CID 175099386
[3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol
CID 69247298
[3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol
CID 51352898
2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
CID 1110902
[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 16736154
4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine
CID 69072137
4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 2992799
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
[6-[3-(2-methoxyethoxymethyl)phenyl]-2-morpholin-4-ylpyrimidin-4-yl] trifluoromethanesulfonate
CID 142901853
[(2S)-1-[[3-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 53360235
[3-[5-methanimidoyl-6-[(1-methylpiperidin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol
CID 130239218

Frequently Asked Questions

What is the IUPAC name of [3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol?
The IUPAC name of [3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol (CID 69195584) is [3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol.
What is the SMILES notation for [3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol?
The canonical SMILES for [3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol is OCc1cccc(-c2cc(-c3cccc4[nH]c(C(F)F)nc34)nc(N3CCOCC3)n2)c1.
What is the InChIKey of [3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol?
The InChIKey is IRUTZOPRNGHZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O2/c24-21(25)22-26-17-6-2-5-16(20(17)29-22)19-12-18(15-4-1-3-14(11-15)13-31)27-23(28-19)30-7-9-32-10-8-30/h1-6,11-12,21,31H,7-10,13H2,(H,26,29).
What are the key properties of [3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol?
[3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol has a molecular weight of 437.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol is sourced from PubChem (CID 69195584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).