(1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine

C12H13BrN4 — CID 84643901

IUPAC(1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCCc1ccc2c(c1)nc1[nH]c(CN)c(Br)n12
InChIInChI=1S/C12H13BrN4/c1-2-7-3-4-10-8(5-7)15-12-16-9(6-14)11(13)17(10)12/h3-5H,2,6,14H2,1H3,(H,15,16)
InChIKeyNMSXXORUOIWKMM-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.60
Rot. Bonds2

About (1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine

(1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine (PubChem CID 84643901) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is (1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
PubChem CID84643901
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name(1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCCc1ccc2c(c1)nc1[nH]c(CN)c(Br)n12
InChIInChI=1S/C12H13BrN4/c1-2-7-3-4-10-8(5-7)15-12-16-9(6-14)11(13)17(10)12/h3-5H,2,6,14H2,1H3,(H,15,16)
InChIKeyNMSXXORUOIWKMM-UHFFFAOYSA-N
XLogP2.60
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84643891
(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84643908
(1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84645503
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503
2-[5-ethyl-1-(1-phenylethyl)benzimidazol-2-yl]ethanamine
CID 82333474
[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82333492
(1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84643893
2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82333467
3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine
CID 82310788

Frequently Asked Questions

What is the IUPAC name of (1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The IUPAC name of (1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine (CID 84643901) is (1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine.
What is the SMILES notation for (1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The canonical SMILES for (1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine is CCc1ccc2c(c1)nc1[nH]c(CN)c(Br)n12.
What is the InChIKey of (1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The InChIKey is NMSXXORUOIWKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-2-7-3-4-10-8(5-7)15-12-16-9(6-14)11(13)17(10)12/h3-5H,2,6,14H2,1H3,(H,15,16).
What are the key properties of (1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
(1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine has a molecular weight of 293.17 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine is sourced from PubChem (CID 84643901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).