5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine

C15H14Cl2N4 — CID 115378675

IUPAC5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine
SMILESCN(C)c1cccc(-n2c(N)nc3cc(Cl)c(Cl)cc32)c1
InChIInChI=1S/C15H14Cl2N4/c1-20(2)9-4-3-5-10(6-9)21-14-8-12(17)11(16)7-13(14)19-15(21)18/h3-8H,1-2H3,(H2,18,19)
InChIKeyFAOHSVIMJKHCOE-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.98
Rot. Bonds2

About 5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine

5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine (PubChem CID 115378675) has the molecular formula C15H14Cl2N4 and a molecular weight of 321.21 g/mol. Its IUPAC name is 5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine
PubChem CID115378675
Molecular FormulaC15H14Cl2N4
Molecular Weight321.21 g/mol
Exact Mass320.06
IUPAC Name5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine
SMILESCN(C)c1cccc(-n2c(N)nc3cc(Cl)c(Cl)cc32)c1
InChIInChI=1S/C15H14Cl2N4/c1-20(2)9-4-3-5-10(6-9)21-14-8-12(17)11(16)7-13(14)19-15(21)18/h3-8H,1-2H3,(H2,18,19)
InChIKeyFAOHSVIMJKHCOE-UHFFFAOYSA-N
XLogP3.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine
CID 115379110
3-[3-(dimethylamino)phenyl]-5-N-pyridin-3-ylbenzimidazole-2,5-diamine
CID 90682918
1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine
CID 115379112
3-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylaniline
CID 115471786
1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107575938
6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 115378694
5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine
CID 103592659
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
5-chloro-6-fluoro-1-(3,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66078904
1-(4-bromo-2,3-dichlorophenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107791625
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine
CID 43662186

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine (CID 115378675) is 5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine is CN(C)c1cccc(-n2c(N)nc3cc(Cl)c(Cl)cc32)c1.
What is the InChIKey of 5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine?
The InChIKey is FAOHSVIMJKHCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4/c1-20(2)9-4-3-5-10(6-9)21-14-8-12(17)11(16)7-13(14)19-15(21)18/h3-8H,1-2H3,(H2,18,19).
What are the key properties of 5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine?
5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine has a molecular weight of 321.21 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 115378675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).