1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone

C22H26ClN3O — CID 159419919

IUPAC1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone
SMILESCCN(CC)CCn1c(Cc2ccc(C(C)=O)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C22H26ClN3O/c1-4-25(5-2)12-13-26-21-11-10-19(23)15-20(21)24-22(26)14-17-6-8-18(9-7-17)16(3)27/h6-11,15H,4-5,12-14H2,1-3H3
InChIKeyLPQCLONUURSXTD-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.82
Rot. Bonds8

About 1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone

1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone (PubChem CID 159419919) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone
PubChem CID159419919
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone
SMILESCCN(CC)CCn1c(Cc2ccc(C(C)=O)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C22H26ClN3O/c1-4-25(5-2)12-13-26-21-11-10-19(23)15-20(21)24-22(26)14-17-6-8-18(9-7-17)16(3)27/h6-11,15H,4-5,12-14H2,1-3H3
InChIKeyLPQCLONUURSXTD-UHFFFAOYSA-N
XLogP4.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone with MolForge

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Related Compounds

3-[5-chloro-2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308852
3-[5-chloro-2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308855
N,N-diethyl-2-[2-[(4-fluorophenyl)methyl]-5-nitrobenzimidazol-1-yl]ethanamine
CID 156588967
2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309386
2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309377
2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid
CID 82142196
2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309439
2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
CID 11953608
3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 61400386
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
CID 43660321
3-[5-chloro-1-(3-oxobutyl)benzimidazol-2-yl]propanoic acid
CID 82332498
4-[2-(aminomethyl)-5-chlorobenzimidazol-1-yl]butan-2-one
CID 82332544

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone (CID 159419919) is 1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone is CCN(CC)CCn1c(Cc2ccc(C(C)=O)cc2)nc2cc(Cl)ccc21.
What is the InChIKey of 1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone?
The InChIKey is LPQCLONUURSXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-4-25(5-2)12-13-26-21-11-10-19(23)15-20(21)24-22(26)14-17-6-8-18(9-7-17)16(3)27/h6-11,15H,4-5,12-14H2,1-3H3.
What are the key properties of 1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone?
1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone has a molecular weight of 383.92 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 159419919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).