(1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine

C11H10BrClN4 — CID 84645503

IUPAC(1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCc1cc(Cl)cc2c1nc1[nH]c(CN)c(Br)n12
InChIInChI=1S/C11H10BrClN4/c1-5-2-6(13)3-8-9(5)16-11-15-7(4-14)10(12)17(8)11/h2-3H,4,14H2,1H3,(H,15,16)
InChIKeyQBWHFFYRZWNBEG-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.00
Rot. Bonds1

About (1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine

(1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine (PubChem CID 84645503) has the molecular formula C11H10BrClN4 and a molecular weight of 313.59 g/mol. Its IUPAC name is (1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
PubChem CID84645503
Molecular FormulaC11H10BrClN4
Molecular Weight313.59 g/mol
Exact Mass311.98
IUPAC Name(1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCc1cc(Cl)cc2c1nc1[nH]c(CN)c(Br)n12
InChIInChI=1S/C11H10BrClN4/c1-5-2-6(13)3-8-9(5)16-11-15-7(4-14)10(12)17(8)11/h2-3H,4,14H2,1H3,(H,15,16)
InChIKeyQBWHFFYRZWNBEG-UHFFFAOYSA-N
XLogP3.00
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84643908
(1-bromo-6-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84643901
(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine
CID 84621320
2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84643891
1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84645044
2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84639038
2-(6-chloro-4,8-dimethylquinolin-2-yl)ethanamine
CID 82575556
3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
CID 82576605
(4-chloro-6-methyl-2-pyridinyl)methanamine
CID 55253198
2-(6-chloro-2,8-dimethylquinolin-4-yl)ethanamine
CID 82575608
(6,8-dichloro-4-methylquinolin-2-yl)methanamine
CID 82573654
2-(aminomethyl)-4-chloro-6-methylphenol
CID 12652125

Frequently Asked Questions

What is the IUPAC name of (1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The IUPAC name of (1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine (CID 84645503) is (1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine.
What is the SMILES notation for (1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The canonical SMILES for (1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine is Cc1cc(Cl)cc2c1nc1[nH]c(CN)c(Br)n12.
What is the InChIKey of (1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The InChIKey is QBWHFFYRZWNBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4/c1-5-2-6(13)3-8-9(5)16-11-15-7(4-14)10(12)17(8)11/h2-3H,4,14H2,1H3,(H,15,16).
What are the key properties of (1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
(1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine has a molecular weight of 313.59 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine is sourced from PubChem (CID 84645503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).