6-bromo-N,1-dimethylbenzimidazol-2-amine

C9H10BrN3 — CID 84629605

IUPAC6-bromo-N,1-dimethylbenzimidazol-2-amine
SMILESCNc1nc2ccc(Br)cc2n1C
InChIInChI=1S/C9H10BrN3/c1-11-9-12-7-4-3-6(10)5-8(7)13(9)2/h3-5H,1-2H3,(H,11,12)
InChIKeyHSRSTKAQSLREQD-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.38
Rot. Bonds1

About 6-bromo-N,1-dimethylbenzimidazol-2-amine

6-bromo-N,1-dimethylbenzimidazol-2-amine (PubChem CID 84629605) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 6-bromo-N,1-dimethylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-N,1-dimethylbenzimidazol-2-amine
PubChem CID84629605
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name6-bromo-N,1-dimethylbenzimidazol-2-amine
SMILESCNc1nc2ccc(Br)cc2n1C
InChIInChI=1S/C9H10BrN3/c1-11-9-12-7-4-3-6(10)5-8(7)13(9)2/h3-5H,1-2H3,(H,11,12)
InChIKeyHSRSTKAQSLREQD-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1,2-dimethylbenzimidazole
CID 58109509
7-bromo-1-methylquinoxalin-2-one
CID 12826370
2-(6-bromo-2-methylbenzimidazol-1-yl)ethanol
CID 170642856
2,7-dibromo-9-methylcarbazole
CID 11851387
3-[4-bromo-2-(methylamino)phenyl]-1-methylquinoxalin-2-one
CID 23821378
6-bromo-1-tert-butylbenzimidazol-2-amine
CID 65347259
6-bromo-1-(4-methoxyphenyl)benzimidazole
CID 71295672
(6-bromo-1-methylbenzimidazol-2-yl)-(oxolan-3-yl)methanone
CID 166644519
1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine
CID 84640411
7-bromo-N-methylquinazolin-2-amine
CID 118107797
1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine
CID 150671167
[2-(2,5-dibromophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114375973

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,1-dimethylbenzimidazol-2-amine?
The IUPAC name of 6-bromo-N,1-dimethylbenzimidazol-2-amine (CID 84629605) is 6-bromo-N,1-dimethylbenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-N,1-dimethylbenzimidazol-2-amine?
The canonical SMILES for 6-bromo-N,1-dimethylbenzimidazol-2-amine is CNc1nc2ccc(Br)cc2n1C.
What is the InChIKey of 6-bromo-N,1-dimethylbenzimidazol-2-amine?
The InChIKey is HSRSTKAQSLREQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-11-9-12-7-4-3-6(10)5-8(7)13(9)2/h3-5H,1-2H3,(H,11,12).
What are the key properties of 6-bromo-N,1-dimethylbenzimidazol-2-amine?
6-bromo-N,1-dimethylbenzimidazol-2-amine has a molecular weight of 240.10 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,1-dimethylbenzimidazol-2-amine is sourced from PubChem (CID 84629605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).