(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine

C12H13BrN4 — CID 84643908

IUPAC(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCCc1cccc2c1nc1[nH]c(CN)c(Br)n12
InChIInChI=1S/C12H13BrN4/c1-2-7-4-3-5-9-10(7)16-12-15-8(6-14)11(13)17(9)12/h3-5H,2,6,14H2,1H3,(H,15,16)
InChIKeyKOYLYWJBJMMIKR-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.60
Rot. Bonds2

About (1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine

(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine (PubChem CID 84643908) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is (1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
PubChem CID84643908
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCCc1cccc2c1nc1[nH]c(CN)c(Br)n12
InChIInChI=1S/C12H13BrN4/c1-2-7-4-3-5-9-10(7)16-12-15-8(6-14)11(13)17(9)12/h3-5H,2,6,14H2,1H3,(H,15,16)
InChIKeyKOYLYWJBJMMIKR-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

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1-(1H-indol-7-yl)benzimidazol-2-amine
CID 164628977
2-Phenyl-1H-1,3a,8-triaza-cyclopenta[a]indene
CID 854077
3-[3-(1H-benzimidazol-2-yl)-5-tert-butyl-2-methylpyrrol-1-yl]-N-methylpropan-1-amine
CID 89944019
4-methyl-2-(4-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 11139924
(4-Methyl-1H-benzo[d]imidazol-2-yl)methanamine
CID 25219535
2-Amino-1-diethylaminoethylbenzimidazole
CID 19040879
1H-Imidazo[1,2-A]indole
CID 45092707
Indolo[1,2-a]benzimidazole
CID 53808047
2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 131906579
N-(cyclopropylmethyl)-N-[1-[2,8-dimethyl-7-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-1-phenylethyl]propan-1-amine
CID 69425143

Frequently Asked Questions

What is the IUPAC name of (1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The IUPAC name of (1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine (CID 84643908) is (1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine.
What is the SMILES notation for (1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The canonical SMILES for (1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine is CCc1cccc2c1nc1[nH]c(CN)c(Br)n12.
What is the InChIKey of (1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The InChIKey is KOYLYWJBJMMIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-2-7-4-3-5-9-10(7)16-12-15-8(6-14)11(13)17(9)12/h3-5H,2,6,14H2,1H3,(H,15,16).
What are the key properties of (1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
(1-bromo-5-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-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine is sourced from PubChem (CID 84643908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).