1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one

C14H15N5O — CID 39841176

IUPAC1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CNc3cnccn3)ccc21
InChIInChI=1S/C14H15N5O/c1-18-11-4-3-10(7-12(11)19(2)14(18)20)8-17-13-9-15-5-6-16-13/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyCOZHOJFMTVIWQR-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.28
Rot. Bonds3

About 1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one

1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one (PubChem CID 39841176) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one
PubChem CID39841176
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CNc3cnccn3)ccc21
InChIInChI=1S/C14H15N5O/c1-18-11-4-3-10(7-12(11)19(2)14(18)20)8-17-13-9-15-5-6-16-13/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyCOZHOJFMTVIWQR-UHFFFAOYSA-N
XLogP1.28
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one (CID 39841176) is 1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one is Cn1c(=O)n(C)c2cc(CNc3cnccn3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one?
The InChIKey is COZHOJFMTVIWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-18-11-4-3-10(7-12(11)19(2)14(18)20)8-17-13-9-15-5-6-16-13/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one?
1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one has a molecular weight of 269.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one is sourced from PubChem (CID 39841176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).