[1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol

C20H18FN5O — CID 11268488

IUPAC[1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol
SMILESC[C@H](Nc1cncc(-n2cnc3cc(CO)ccc32)n1)c1ccc(F)cc1
InChIInChI=1S/C20H18FN5O/c1-13(15-3-5-16(21)6-4-15)24-19-9-22-10-20(25-19)26-12-23-17-8-14(11-27)2-7-18(17)26/h2-10,12-13,27H,11H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyRWKKYDUIYRVASH-ZDUSSCGKSA-N
MW363.40 g/mol
LogP3.62
Rot. Bonds5

About [1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol

[1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol (PubChem CID 11268488) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is [1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol
PubChem CID11268488
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name[1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol
SMILESC[C@H](Nc1cncc(-n2cnc3cc(CO)ccc32)n1)c1ccc(F)cc1
InChIInChI=1S/C20H18FN5O/c1-13(15-3-5-16(21)6-4-15)24-19-9-22-10-20(25-19)26-12-23-17-8-14(11-27)2-7-18(17)26/h2-10,12-13,27H,11H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyRWKKYDUIYRVASH-ZDUSSCGKSA-N
XLogP3.62
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol?
The IUPAC name of [1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol (CID 11268488) is [1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol.
What is the SMILES notation for [1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol?
The canonical SMILES for [1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol is C[C@H](Nc1cncc(-n2cnc3cc(CO)ccc32)n1)c1ccc(F)cc1.
What is the InChIKey of [1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol?
The InChIKey is RWKKYDUIYRVASH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-13(15-3-5-16(21)6-4-15)24-19-9-22-10-20(25-19)26-12-23-17-8-14(11-27)2-7-18(17)26/h2-10,12-13,27H,11H2,1H3,(H,24,25)/t13-/m0/s1.
What are the key properties of [1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol?
[1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol has a molecular weight of 363.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]methanol is sourced from PubChem (CID 11268488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).