1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone

C17H23N3O — CID 116570155

IUPAC1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone
SMILESCCCn1c(CC(=O)C2(C)CCNC2)nc2ccccc21
InChIInChI=1S/C17H23N3O/c1-3-10-20-14-7-5-4-6-13(14)19-16(20)11-15(21)17(2)8-9-18-12-17/h4-7,18H,3,8-12H2,1-2H3
InChIKeyFSDVCIDXZDAFES-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.56
Rot. Bonds5

About 1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone

1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone (PubChem CID 116570155) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone
PubChem CID116570155
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone
SMILESCCCn1c(CC(=O)C2(C)CCNC2)nc2ccccc21
InChIInChI=1S/C17H23N3O/c1-3-10-20-14-7-5-4-6-13(14)19-16(20)11-15(21)17(2)8-9-18-12-17/h4-7,18H,3,8-12H2,1-2H3
InChIKeyFSDVCIDXZDAFES-UHFFFAOYSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900
2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567574
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol
CID 114501819
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 79754432
3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 103453160
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-(1,4-dioxan-2-yl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115824359
1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923180

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone (CID 116570155) is 1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone is CCCn1c(CC(=O)C2(C)CCNC2)nc2ccccc21.
What is the InChIKey of 1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone?
The InChIKey is FSDVCIDXZDAFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-10-20-14-7-5-4-6-13(14)19-16(20)11-15(21)17(2)8-9-18-12-17/h4-7,18H,3,8-12H2,1-2H3.
What are the key properties of 1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone?
1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone has a molecular weight of 285.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrrolidin-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 116570155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).