4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine

C13H18BrN3 — CID 82683696

IUPAC4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine
SMILESCC(CN)CCc1nc2cc(Br)ccc2n1C
InChIInChI=1S/C13H18BrN3/c1-9(8-15)3-6-13-16-11-7-10(14)4-5-12(11)17(13)2/h4-5,7,9H,3,6,8,15H2,1-2H3
InChIKeyFOAWEOXTLBEHOZ-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.86
Rot. Bonds4

About 4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine

4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine (PubChem CID 82683696) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine
PubChem CID82683696
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine
SMILESCC(CN)CCc1nc2cc(Br)ccc2n1C
InChIInChI=1S/C13H18BrN3/c1-9(8-15)3-6-13-16-11-7-10(14)4-5-12(11)17(13)2/h4-5,7,9H,3,6,8,15H2,1-2H3
InChIKeyFOAWEOXTLBEHOZ-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
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CID 79873273
3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
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2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266
3-(aminomethyl)-6-bromo-1-methylquinoxalin-2-one
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N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
(5-bromo-2-ethylbenzimidazol-1-yl)-iodophosphane
CID 177354823
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938
5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545579
5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 63926124
4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62048134

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine?
The IUPAC name of 4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine (CID 82683696) is 4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine is CC(CN)CCc1nc2cc(Br)ccc2n1C.
What is the InChIKey of 4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine?
The InChIKey is FOAWEOXTLBEHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c1-9(8-15)3-6-13-16-11-7-10(14)4-5-12(11)17(13)2/h4-5,7,9H,3,6,8,15H2,1-2H3.
What are the key properties of 4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine?
4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine has a molecular weight of 296.21 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 82683696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).