6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide

C18H20N6O — CID 133429827

IUPAC6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide
SMILESCCn1c(C2CCCN2c2cncc(C(N)=O)n2)nc2ccccc21
InChIInChI=1S/C18H20N6O/c1-2-23-14-7-4-3-6-12(14)22-18(23)15-8-5-9-24(15)16-11-20-10-13(21-16)17(19)25/h3-4,6-7,10-11,15H,2,5,8-9H2,1H3,(H2,19,25)
InChIKeyHGAQQELLFOCRAZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.29
Rot. Bonds4

About 6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide

6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide (PubChem CID 133429827) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide
PubChem CID133429827
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide
SMILESCCn1c(C2CCCN2c2cncc(C(N)=O)n2)nc2ccccc21
InChIInChI=1S/C18H20N6O/c1-2-23-14-7-4-3-6-12(14)22-18(23)15-8-5-9-24(15)16-11-20-10-13(21-16)17(19)25/h3-4,6-7,10-11,15H,2,5,8-9H2,1H3,(H2,19,25)
InChIKeyHGAQQELLFOCRAZ-UHFFFAOYSA-N
XLogP2.29
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 124592970
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 52851870
5-[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124684072
3-ethyl-2-(1-methylpyrrolidin-2-yl)benzimidazole-5-carboxamide
CID 66899261
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 120799598
1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 97013821
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole
CID 133412290
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole
CID 71974480
(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol
CID 111970121
2-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 71974479

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide (CID 133429827) is 6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide is CCn1c(C2CCCN2c2cncc(C(N)=O)n2)nc2ccccc21.
What is the InChIKey of 6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is HGAQQELLFOCRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-23-14-7-4-3-6-12(14)22-18(23)15-8-5-9-24(15)16-11-20-10-13(21-16)17(19)25/h3-4,6-7,10-11,15H,2,5,8-9H2,1H3,(H2,19,25).
What are the key properties of 6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide?
6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 133429827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).