1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone

C16H20N2O — CID 107003948

IUPAC1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)C2CC2(C)C)nc2ccccc21
InChIInChI=1S/C16H20N2O/c1-4-18-13-8-6-5-7-12(13)17-15(18)9-14(19)11-10-16(11,2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyLOCVHKUBZPZFTH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.21
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone

1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone (PubChem CID 107003948) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
PubChem CID107003948
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(CC(=O)C2CC2(C)C)nc2ccccc21
InChIInChI=1S/C16H20N2O/c1-4-18-13-8-6-5-7-12(13)17-15(18)9-14(19)11-10-16(11,2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyLOCVHKUBZPZFTH-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
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-(2-aminocyclohexyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 116580009
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone
CID 79753537
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116578839
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
CID 115782747
1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone (CID 107003948) is 1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone is CCn1c(CC(=O)C2CC2(C)C)nc2ccccc21.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
The InChIKey is LOCVHKUBZPZFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-18-13-8-6-5-7-12(13)17-15(18)9-14(19)11-10-16(11,2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone?
1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone has a molecular weight of 256.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 107003948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).