1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone

C17H23N3O — CID 116580009

IUPAC1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)C2CCCCC2N)nc2ccccc21
InChIInChI=1S/C17H23N3O/c1-2-20-15-10-6-5-9-14(15)19-17(20)11-16(21)12-7-3-4-8-13(12)18/h5-6,9-10,12-13H,2-4,7-8,11,18H2,1H3
InChIKeyMIVLMAOIGWNMKM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.69
Rot. Bonds4

About 1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone

1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone (PubChem CID 116580009) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
PubChem CID116580009
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)C2CCCCC2N)nc2ccccc21
InChIInChI=1S/C17H23N3O/c1-2-20-15-10-6-5-9-14(15)19-17(20)11-16(21)12-7-3-4-8-13(12)18/h5-6,9-10,12-13H,2-4,7-8,11,18H2,1H3
InChIKeyMIVLMAOIGWNMKM-UHFFFAOYSA-N
XLogP2.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107003948
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
CID 79753354
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116578839
2-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750335
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819
1-(1-ethylbenzimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105114577
2-(1-propylbenzimidazol-2-yl)-1-(thian-2-yl)ethanone
CID 80621942

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone (CID 116580009) is 1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone is CCn1c(CC(=O)C2CCCCC2N)nc2ccccc21.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The InChIKey is MIVLMAOIGWNMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20-15-10-6-5-9-14(15)19-17(20)11-16(21)12-7-3-4-8-13(12)18/h5-6,9-10,12-13H,2-4,7-8,11,18H2,1H3.
What are the key properties of 1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone has a molecular weight of 285.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 116580009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).