3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine

C12H16BrN3 — CID 84642992

IUPAC3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine
SMILESCc1cc(Br)cc2nc(CCCN)n(C)c12
InChIInChI=1S/C12H16BrN3/c1-8-6-9(13)7-10-12(8)16(2)11(15-10)4-3-5-14/h6-7H,3-5,14H2,1-2H3
InChIKeyYTIDMGOKYKRCGV-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.54
Rot. Bonds3

About 3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine

3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine (PubChem CID 84642992) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine
PubChem CID84642992
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine
SMILESCc1cc(Br)cc2nc(CCCN)n(C)c12
InChIInChI=1S/C12H16BrN3/c1-8-6-9(13)7-10-12(8)16(2)11(15-10)4-3-5-14/h6-7H,3-5,14H2,1-2H3
InChIKeyYTIDMGOKYKRCGV-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-1,7-dimethylbenzimidazol-2-yl)hydrazine
CID 84635550
5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646012
3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333928
4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine
CID 18694804
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574246
3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82145072
3-(7-bromo-1,5-dimethylbenzimidazol-2-yl)propanoic acid
CID 84644355
3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine
CID 84811803
2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine
CID 84610828
7-bromo-2-ethyl-1-methylbenzimidazol-5-amine
CID 82381674
(6-bromo-3-methylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 83899074
4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine
CID 82683696

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine (CID 84642992) is 3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine is Cc1cc(Br)cc2nc(CCCN)n(C)c12.
What is the InChIKey of 3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is YTIDMGOKYKRCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c1-8-6-9(13)7-10-12(8)16(2)11(15-10)4-3-5-14/h6-7H,3-5,14H2,1-2H3.
What are the key properties of 3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine?
3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 282.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1,7-dimethylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 84642992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).