1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone

C18H27N3O — CID 82142245

IUPAC1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone
SMILESCCC(CC)c1nc2cc(C(C)=O)ccc2n1CCN(C)C
InChIInChI=1S/C18H27N3O/c1-6-14(7-2)18-19-16-12-15(13(3)22)8-9-17(16)21(18)11-10-20(4)5/h8-9,12,14H,6-7,10-11H2,1-5H3
InChIKeyFSFUEWHVVMTYRV-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.70
Rot. Bonds7

About 1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone

1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone (PubChem CID 82142245) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone
PubChem CID82142245
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone
SMILESCCC(CC)c1nc2cc(C(C)=O)ccc2n1CCN(C)C
InChIInChI=1S/C18H27N3O/c1-6-14(7-2)18-19-16-12-15(13(3)22)8-9-17(16)21(18)11-10-20(4)5/h8-9,12,14H,6-7,10-11H2,1-5H3
InChIKeyFSFUEWHVVMTYRV-UHFFFAOYSA-N
XLogP3.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone 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-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone
CID 94743219
2-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]acetic acid
CID 94743217
2-butan-2-yl-1-[2-(diethylamino)ethyl]benzimidazole-5-carboxylic acid
CID 46309354
2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142232
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
CID 21025939
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine
CID 82334045
2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333823
2-[2-(1-chloroethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334199
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333992
1-[2-(dimethylamino)ethyl]-2-henicosyl-N-methylbenzimidazole-5-carboxamide
CID 22013758
1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322844
2-propan-2-yl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid
CID 63227149

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone (CID 82142245) is 1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone is CCC(CC)c1nc2cc(C(C)=O)ccc2n1CCN(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone?
The InChIKey is FSFUEWHVVMTYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-6-14(7-2)18-19-16-12-15(13(3)22)8-9-17(16)21(18)11-10-20(4)5/h8-9,12,14H,6-7,10-11H2,1-5H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone?
1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone has a molecular weight of 301.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone is sourced from PubChem (CID 82142245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).