6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine

C19H16FN5 — CID 118094365

IUPAC6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
SMILESCc1ccc(Nc2cncc(-n3c(C)nc4ccc(F)cc43)n2)cc1
InChIInChI=1S/C19H16FN5/c1-12-3-6-15(7-4-12)23-18-10-21-11-19(24-18)25-13(2)22-16-8-5-14(20)9-17(16)25/h3-11H,1-2H3,(H,23,24)
InChIKeyMFRONEBBTBAYQG-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.32
Rot. Bonds3

About 6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine

6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine (PubChem CID 118094365) has the molecular formula C19H16FN5 and a molecular weight of 333.37 g/mol. Its IUPAC name is 6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
PubChem CID118094365
Molecular FormulaC19H16FN5
Molecular Weight333.37 g/mol
Exact Mass333.14
IUPAC Name6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
SMILESCc1ccc(Nc2cncc(-n3c(C)nc4ccc(F)cc43)n2)cc1
InChIInChI=1S/C19H16FN5/c1-12-3-6-15(7-4-12)23-18-10-21-11-19(24-18)25-13(2)22-16-8-5-14(20)9-17(16)25/h3-11H,1-2H3,(H,23,24)
InChIKeyMFRONEBBTBAYQG-UHFFFAOYSA-N
XLogP4.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mizolastine
CID 65906
Abemaciclib
CID 46220502
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
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Lerisetron
CID 65997
Glu-P 1
CID 49971
Mavorixafor
CID 11256587
Toreforant
CID 23650961
Tecastemizole
CID 123618
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Miransertib
CID 53262401
SB-220025
CID 5164
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine?
The IUPAC name of 6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine (CID 118094365) is 6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine?
The canonical SMILES for 6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine is Cc1ccc(Nc2cncc(-n3c(C)nc4ccc(F)cc43)n2)cc1.
What is the InChIKey of 6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine?
The InChIKey is MFRONEBBTBAYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5/c1-12-3-6-15(7-4-12)23-18-10-21-11-19(24-18)25-13(2)22-16-8-5-14(20)9-17(16)25/h3-11H,1-2H3,(H,23,24).
What are the key properties of 6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine?
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine has a molecular weight of 333.37 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine is sourced from PubChem (CID 118094365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).