2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine

C17H26ClN3 — CID 46309377

IUPAC2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine
SMILESCCC(C)c1nc2cc(Cl)ccc2n1CCN(CC)CC
InChIInChI=1S/C17H26ClN3/c1-5-13(4)17-19-15-12-14(18)8-9-16(15)21(17)11-10-20(6-2)7-3/h8-9,12-13H,5-7,10-11H2,1-4H3
InChIKeyTZQFTTGWGDWYEZ-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.55
Rot. Bonds7

About 2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine

2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine (PubChem CID 46309377) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine
PubChem CID46309377
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine
SMILESCCC(C)c1nc2cc(Cl)ccc2n1CCN(CC)CC
InChIInChI=1S/C17H26ClN3/c1-5-13(4)17-19-15-12-14(18)8-9-16(15)21(17)11-10-20(6-2)7-3/h8-9,12-13H,5-7,10-11H2,1-4H3
InChIKeyTZQFTTGWGDWYEZ-UHFFFAOYSA-N
XLogP4.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308838
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
2-butan-2-yl-1-[2-(diethylamino)ethyl]benzimidazole-5-carboxylic acid
CID 46309354
2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309386
2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309439
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
CID 82332591
1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone
CID 159419919
2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole
CID 116682105
3-[5-chloro-2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308852
5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole
CID 46310477
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine?
The IUPAC name of 2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine (CID 46309377) is 2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine?
The canonical SMILES for 2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine is CCC(C)c1nc2cc(Cl)ccc2n1CCN(CC)CC.
What is the InChIKey of 2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine?
The InChIKey is TZQFTTGWGDWYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-5-13(4)17-19-15-12-14(18)8-9-16(15)21(17)11-10-20(6-2)7-3/h8-9,12-13H,5-7,10-11H2,1-4H3.
What are the key properties of 2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine?
2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine has a molecular weight of 307.87 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine is sourced from PubChem (CID 46309377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).