1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine

C16H15Br2N3 — CID 21484267

IUPAC1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine
SMILESCc1cc2nc(N)n(Cc3cc(Br)cc(Br)c3)c2cc1C
InChIInChI=1S/C16H15Br2N3/c1-9-3-14-15(4-10(9)2)21(16(19)20-14)8-11-5-12(17)7-13(18)6-11/h3-7H,8H2,1-2H3,(H2,19,20)
InChIKeyMAWQIKTUIOSCGK-UHFFFAOYSA-N
MW409.13 g/mol
LogP4.81
Rot. Bonds2

About 1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine

1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine (PubChem CID 21484267) has the molecular formula C16H15Br2N3 and a molecular weight of 409.13 g/mol. Its IUPAC name is 1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine
PubChem CID21484267
Molecular FormulaC16H15Br2N3
Molecular Weight409.13 g/mol
Exact Mass406.96
IUPAC Name1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine
SMILESCc1cc2nc(N)n(Cc3cc(Br)cc(Br)c3)c2cc1C
InChIInChI=1S/C16H15Br2N3/c1-9-3-14-15(4-10(9)2)21(16(19)20-14)8-11-5-12(17)7-13(18)6-11/h3-7H,8H2,1-2H3,(H2,19,20)
InChIKeyMAWQIKTUIOSCGK-UHFFFAOYSA-N
XLogP4.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.13
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-5,6-dimethylbenzimidazol-1-yl)methyl]benzonitrile
CID 82359067
5,6-dimethyl-1-propylbenzimidazol-2-amine
CID 82359039
1-[2-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-2-amine
CID 82359073
5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661463
1-heptyl-5,6-dimethylbenzimidazol-2-amine
CID 82359044
6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
CID 65344818
6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine
CID 65347065
1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 58564987
1,5,6-trimethylbenzimidazol-2-amine;hydrochloride
CID 72710310
5-fluoro-6-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419797
6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
CID 116737993
5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 103592946

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine?
The IUPAC name of 1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine (CID 21484267) is 1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine.
What is the SMILES notation for 1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine?
The canonical SMILES for 1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine is Cc1cc2nc(N)n(Cc3cc(Br)cc(Br)c3)c2cc1C.
What is the InChIKey of 1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine?
The InChIKey is MAWQIKTUIOSCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N3/c1-9-3-14-15(4-10(9)2)21(16(19)20-14)8-11-5-12(17)7-13(18)6-11/h3-7H,8H2,1-2H3,(H2,19,20).
What are the key properties of 1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine?
1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine has a molecular weight of 409.13 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine is sourced from PubChem (CID 21484267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).