6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine

C19H16BrN5 — CID 10408302

IUPAC6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine
SMILESC[C@H](Nc1cncc(-n2cnc3ccccc32)n1)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrN5/c1-13(14-6-8-15(20)9-7-14)23-18-10-21-11-19(24-18)25-12-22-16-4-2-3-5-17(16)25/h2-13H,1H3,(H,23,24)/t13-/m0/s1
InChIKeySMYPGAWUFKCWCH-ZDUSSCGKSA-N
MW394.28 g/mol
LogP4.75
Rot. Bonds4

About 6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine

6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine (PubChem CID 10408302) has the molecular formula C19H16BrN5 and a molecular weight of 394.28 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine
PubChem CID10408302
Molecular FormulaC19H16BrN5
Molecular Weight394.28 g/mol
Exact Mass393.06
IUPAC Name6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine
SMILESC[C@H](Nc1cncc(-n2cnc3ccccc32)n1)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrN5/c1-13(14-6-8-15(20)9-7-14)23-18-10-21-11-19(24-18)25-12-22-16-4-2-3-5-17(16)25/h2-13H,1H3,(H,23,24)/t13-/m0/s1
InChIKeySMYPGAWUFKCWCH-ZDUSSCGKSA-N
XLogP4.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine (CID 10408302) is 6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine is C[C@H](Nc1cncc(-n2cnc3ccccc32)n1)c1ccc(Br)cc1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine?
The InChIKey is SMYPGAWUFKCWCH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16BrN5/c1-13(14-6-8-15(20)9-7-14)23-18-10-21-11-19(24-18)25-12-22-16-4-2-3-5-17(16)25/h2-13H,1H3,(H,23,24)/t13-/m0/s1.
What are the key properties of 6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine?
6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine has a molecular weight of 394.28 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 10408302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).