[1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine

C14H18BrN3 — CID 104574289

IUPAC[1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCc1cc(Br)cc2[nH]c(CC3(CN)CCC3)nc12
InChIInChI=1S/C14H18BrN3/c1-9-5-10(15)6-11-13(9)18-12(17-11)7-14(8-16)3-2-4-14/h5-6H,2-4,7-8,16H2,1H3,(H,17,18)
InChIKeySHPQUZLOYASZBE-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.31
Rot. Bonds3

About [1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine

[1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine (PubChem CID 104574289) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is [1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine
PubChem CID104574289
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name[1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCc1cc(Br)cc2[nH]c(CC3(CN)CCC3)nc12
InChIInChI=1S/C14H18BrN3/c1-9-5-10(15)6-11-13(9)18-12(17-11)7-14(8-16)3-2-4-14/h5-6H,2-4,7-8,16H2,1H3,(H,17,18)
InChIKeySHPQUZLOYASZBE-UHFFFAOYSA-N
XLogP3.31
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine (CID 104574289) is [1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine is Cc1cc(Br)cc2[nH]c(CC3(CN)CCC3)nc12.
What is the InChIKey of [1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The InChIKey is SHPQUZLOYASZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-9-5-10(15)6-11-13(9)18-12(17-11)7-14(8-16)3-2-4-14/h5-6H,2-4,7-8,16H2,1H3,(H,17,18).
What are the key properties of [1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine?
[1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine has a molecular weight of 308.22 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 104574289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).