5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid

C18H19N5O3 — CID 120685706

IUPAC5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCC(NC(=O)c1cnc(C(=O)O)cn1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C18H19N5O3/c1-10(2)23-15-7-5-4-6-12(15)22-16(23)11(3)21-17(24)13-8-20-14(9-19-13)18(25)26/h4-11H,1-3H3,(H,21,24)(H,25,26)
InChIKeySYFNLYYYGUMXQI-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.60
Rot. Bonds5

About 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid

5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685706) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685706
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCC(NC(=O)c1cnc(C(=O)O)cn1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C18H19N5O3/c1-10(2)23-15-7-5-4-6-12(15)22-16(23)11(3)21-17(24)13-8-20-14(9-19-13)18(25)26/h4-11H,1-3H3,(H,21,24)(H,25,26)
InChIKeySYFNLYYYGUMXQI-UHFFFAOYSA-N
XLogP2.60
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
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N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
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5-(4-chlorophenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
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CID 125421685
2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid (CID 120685706) is 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid is CC(NC(=O)c1cnc(C(=O)O)cn1)c1nc2ccccc2n1C(C)C.
What is the InChIKey of 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is SYFNLYYYGUMXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-10(2)23-15-7-5-4-6-12(15)22-16(23)11(3)21-17(24)13-8-20-14(9-19-13)18(25)26/h4-11H,1-3H3,(H,21,24)(H,25,26).
What are the key properties of 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).