2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid

C15H15N5O3 — CID 167923829

IUPAC2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCn1cnc2cc(CNc3nccn(CC(=O)O)c3=O)ccc21
InChIInChI=1S/C15H15N5O3/c1-19-9-18-11-6-10(2-3-12(11)19)7-17-14-15(23)20(5-4-16-14)8-13(21)22/h2-6,9H,7-8H2,1H3,(H,16,17)(H,21,22)
InChIKeyYRJNEJMPPBQFIT-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.83
Rot. Bonds5

About 2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid

2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid (PubChem CID 167923829) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
PubChem CID167923829
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCn1cnc2cc(CNc3nccn(CC(=O)O)c3=O)ccc21
InChIInChI=1S/C15H15N5O3/c1-19-9-18-11-6-10(2-3-12(11)19)7-17-14-15(23)20(5-4-16-14)8-13(21)22/h2-6,9H,7-8H2,1H3,(H,16,17)(H,21,22)
InChIKeyYRJNEJMPPBQFIT-UHFFFAOYSA-N
XLogP0.83
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxopyrazin-1-yl]acetic acid
CID 167809627
2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
CID 167932709
2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid
CID 167803874
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid
CID 115218062
1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
CID 115172225
1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one
CID 62996104
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124487
3-amino-1-methyl-1-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 115192819

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid (CID 167923829) is 2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid is Cn1cnc2cc(CNc3nccn(CC(=O)O)c3=O)ccc21.
What is the InChIKey of 2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is YRJNEJMPPBQFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-19-9-18-11-6-10(2-3-12(11)19)7-17-14-15(23)20(5-4-16-14)8-13(21)22/h2-6,9H,7-8H2,1H3,(H,16,17)(H,21,22).
What are the key properties of 2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 313.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 167923829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).