6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine

C15H22ClN3 — CID 107816969

IUPAC6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine
SMILESCCCCC(CC)Cn1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C15H22ClN3/c1-3-5-6-11(4-2)10-19-14-9-12(16)7-8-13(14)18-15(19)17/h7-9,11H,3-6,10H2,1-2H3,(H2,17,18)
InChIKeyQIEGBXWZUVHYLI-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.49
Rot. Bonds6

About 6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine

6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine (PubChem CID 107816969) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine
PubChem CID107816969
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine
SMILESCCCCC(CC)Cn1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C15H22ClN3/c1-3-5-6-11(4-2)10-19-14-9-12(16)7-8-13(14)18-15(19)17/h7-9,11H,3-6,10H2,1-2H3,(H2,17,18)
InChIKeyQIEGBXWZUVHYLI-UHFFFAOYSA-N
XLogP4.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817122
3-(2-ethylhexyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 107816979
6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 115470557
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746
1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053654
2-(chloromethyl)-1-(2-ethylhexyl)-6,7-difluorobenzimidazole
CID 107817185
6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
CID 115470651
6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine
CID 115470600
2-(1-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817160
6-chloro-1-dodecyl-2-methylbenzimidazole
CID 139664986
3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113316610
3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 107816967

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine (CID 107816969) is 6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine is CCCCC(CC)Cn1c(N)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine?
The InChIKey is QIEGBXWZUVHYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-3-5-6-11(4-2)10-19-14-9-12(16)7-8-13(14)18-15(19)17/h7-9,11H,3-6,10H2,1-2H3,(H2,17,18).
What are the key properties of 6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine?
6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine has a molecular weight of 279.81 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine is sourced from PubChem (CID 107816969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).