3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride

C17H26Cl2N4O — CID 119872639

IUPAC3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
SMILESCCn1c(C2CCCN2C(=O)CC(C)N)nc2ccccc21.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-3-20-14-8-5-4-7-13(14)19-17(20)15-9-6-10-21(15)16(22)11-12(2)18;;/h4-5,7-8,12,15H,3,6,9-11,18H2,1-2H3;2*1H
InChIKeyGXICUWZHJDPUAZ-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.30
Rot. Bonds4

About 3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride

3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 119872639) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is 3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
PubChem CID119872639
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC Name3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
SMILESCCn1c(C2CCCN2C(=O)CC(C)N)nc2ccccc21.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-3-20-14-8-5-4-7-13(14)19-17(20)15-9-6-10-21(15)16(22)11-12(2)18;;/h4-5,7-8,12,15H,3,6,9-11,18H2,1-2H3;2*1H
InChIKeyGXICUWZHJDPUAZ-UHFFFAOYSA-N
XLogP3.30
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119872621
2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119872625
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119872644
1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92735820
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055
N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide
CID 17027862
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 120799598
1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 124684087
4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 95278101
[(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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride (CID 119872639) is 3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride is CCn1c(C2CCCN2C(=O)CC(C)N)nc2ccccc21.Cl.Cl.
What is the InChIKey of 3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is GXICUWZHJDPUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/c1-3-20-14-8-5-4-7-13(14)19-17(20)15-9-6-10-21(15)16(22)11-12(2)18;;/h4-5,7-8,12,15H,3,6,9-11,18H2,1-2H3;2*1H.
What are the key properties of 3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride?
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 119872639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).