1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one

C15H20N2O — CID 79753443

IUPAC1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
SMILESCCn1c(CC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H20N2O/c1-5-17-12-9-7-6-8-11(12)16-14(17)10-13(18)15(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyDDVLOYWPXOOVGE-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.21
Rot. Bonds3

About 1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one

1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one (PubChem CID 79753443) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
PubChem CID79753443
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
SMILESCCn1c(CC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H20N2O/c1-5-17-12-9-7-6-8-11(12)16-14(17)10-13(18)15(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyDDVLOYWPXOOVGE-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819
3-amino-1-(1-ethylbenzimidazol-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116593122
3-amino-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-one
CID 116557165
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
CID 115782747
1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664
1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116587001
1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115400992

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one (CID 79753443) is 1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one is CCn1c(CC(=O)C(C)(C)C)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one?
The InChIKey is DDVLOYWPXOOVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-17-12-9-7-6-8-11(12)16-14(17)10-13(18)15(2,3)4/h6-9H,5,10H2,1-4H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one?
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 79753443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).