1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone

C21H25N3O — CID 46996454

IUPAC1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone
SMILESCCN(CCc1nc2ccc(C)cc2[nH]1)Cc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H25N3O/c1-4-24(14-17-6-8-18(9-7-17)16(3)25)12-11-21-22-19-10-5-15(2)13-20(19)23-21/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,23)
InChIKeyAAFYILQBFJXNBI-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.14
Rot. Bonds7

About 1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone

1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone (PubChem CID 46996454) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone
PubChem CID46996454
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone
SMILESCCN(CCc1nc2ccc(C)cc2[nH]1)Cc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H25N3O/c1-4-24(14-17-6-8-18(9-7-17)16(3)25)12-11-21-22-19-10-5-15(2)13-20(19)23-21/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,23)
InChIKeyAAFYILQBFJXNBI-UHFFFAOYSA-N
XLogP4.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone with MolForge

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Related Compounds

N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid
CID 100586689
1-[4-(diethylaminomethyl)phenyl]ethanone
CID 11571995
2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide
CID 103101302
2-(2,5-dioxoimidazolidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 91766350
2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
CID 82335958
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 118794142
N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide
CID 46993360
(2S)-2-amino-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylsulfanylbutanamide
CID 46995178
N-ethyl-3-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]propanamide
CID 91831683
2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 50970037
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone (CID 46996454) is 1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone is CCN(CCc1nc2ccc(C)cc2[nH]1)Cc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone?
The InChIKey is AAFYILQBFJXNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-4-24(14-17-6-8-18(9-7-17)16(3)25)12-11-21-22-19-10-5-15(2)13-20(19)23-21/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,23).
What are the key properties of 1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone?
1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone has a molecular weight of 335.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone is sourced from PubChem (CID 46996454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).