2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid

C16H17N5O3 — CID 167932709

IUPAC2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cccc2nc(CNc3nccn(CC(=O)O)c3=O)n(C)c12
InChIInChI=1S/C16H17N5O3/c1-10-4-3-5-11-14(10)20(2)12(19-11)8-18-15-16(24)21(7-6-17-15)9-13(22)23/h3-7H,8-9H2,1-2H3,(H,17,18)(H,22,23)
InChIKeyFQUPTGDDEAMSDW-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.14
Rot. Bonds5

About 2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid

2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid (PubChem CID 167932709) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
PubChem CID167932709
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cccc2nc(CNc3nccn(CC(=O)O)c3=O)n(C)c12
InChIInChI=1S/C16H17N5O3/c1-10-4-3-5-11-14(10)20(2)12(19-11)8-18-15-16(24)21(7-6-17-15)9-13(22)23/h3-7H,8-9H2,1-2H3,(H,17,18)(H,22,23)
InChIKeyFQUPTGDDEAMSDW-UHFFFAOYSA-N
XLogP1.14
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4-methyl-3-nitropyridin-2-amine
CID 133367384
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71848970
2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
CID 167923829
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine
CID 81455738
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-3-methyl-5-nitropyridin-2-amine
CID 133443456
2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
CID 71911492
2-(7-methylbenzimidazol-1-yl)acetic acid
CID 11735640
3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938286
2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid
CID 167803874
1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 91645810
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 62928286

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid (CID 167932709) is 2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid is Cc1cccc2nc(CNc3nccn(CC(=O)O)c3=O)n(C)c12.
What is the InChIKey of 2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is FQUPTGDDEAMSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10-4-3-5-11-14(10)20(2)12(19-11)8-18-15-16(24)21(7-6-17-15)9-13(22)23/h3-7H,8-9H2,1-2H3,(H,17,18)(H,22,23).
What are the key properties of 2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid?
2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 327.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 167932709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).