2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol

C14H15N5O — CID 50976929

IUPAC2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol
SMILESCc1cccc2c1nc(CCO)n2-c1cnc(N)cn1
InChIInChI=1S/C14H15N5O/c1-9-3-2-4-10-14(9)18-12(5-6-20)19(10)13-8-16-11(15)7-17-13/h2-4,7-8,20H,5-6H2,1H3,(H2,15,16)
InChIKeyNNJUGRJLZJHEBV-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.24
Rot. Bonds3

About 2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol

2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol (PubChem CID 50976929) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol
PubChem CID50976929
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol
SMILESCc1cccc2c1nc(CCO)n2-c1cnc(N)cn1
InChIInChI=1S/C14H15N5O/c1-9-3-2-4-10-14(9)18-12(5-6-20)19(10)13-8-16-11(15)7-17-13/h2-4,7-8,20H,5-6H2,1H3,(H2,15,16)
InChIKeyNNJUGRJLZJHEBV-UHFFFAOYSA-N
XLogP1.24
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol?
The IUPAC name of 2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol (CID 50976929) is 2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol.
What is the SMILES notation for 2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol?
The canonical SMILES for 2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol is Cc1cccc2c1nc(CCO)n2-c1cnc(N)cn1.
What is the InChIKey of 2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol?
The InChIKey is NNJUGRJLZJHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-3-2-4-10-14(9)18-12(5-6-20)19(10)13-8-16-11(15)7-17-13/h2-4,7-8,20H,5-6H2,1H3,(H2,15,16).
What are the key properties of 2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol?
2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol has a molecular weight of 269.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-aminopyrazin-2-yl)-4-methylbenzimidazol-2-yl]ethanol is sourced from PubChem (CID 50976929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).