1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one

C17H23N3O — CID 116578839

IUPAC1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
SMILESCCn1c(CC(=O)CC2(N)CCCC2)nc2ccccc21
InChIInChI=1S/C17H23N3O/c1-2-20-15-8-4-3-7-14(15)19-16(20)11-13(21)12-17(18)9-5-6-10-17/h3-4,7-8H,2,5-6,9-12,18H2,1H3
InChIKeyLLWYDTIPSMEEIU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.83
Rot. Bonds5

About 1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one

1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one (PubChem CID 116578839) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
PubChem CID116578839
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
SMILESCCn1c(CC(=O)CC2(N)CCCC2)nc2ccccc21
InChIInChI=1S/C17H23N3O/c1-2-20-15-8-4-3-7-14(15)19-16(20)11-13(21)12-17(18)9-5-6-10-17/h3-4,7-8H,2,5-6,9-12,18H2,1H3
InChIKeyLLWYDTIPSMEEIU-UHFFFAOYSA-N
XLogP2.83
TPSA60.91 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(3-aminooxolan-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 116579710
1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664
1-(1-ethylbenzimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105114577
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
CID 79753354
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one
CID 116562942

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one (CID 116578839) is 1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one is CCn1c(CC(=O)CC2(N)CCCC2)nc2ccccc21.
What is the InChIKey of 1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one?
The InChIKey is LLWYDTIPSMEEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20-15-8-4-3-7-14(15)19-16(20)11-13(21)12-17(18)9-5-6-10-17/h3-4,7-8H,2,5-6,9-12,18H2,1H3.
What are the key properties of 1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one?
1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 116578839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).