[2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine

C13H11Br2N3S — CID 104721511

IUPAC[2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine
SMILESCn1c(-c2cc(Br)c(Br)s2)nc2c(CN)cccc21
InChIInChI=1S/C13H11Br2N3S/c1-18-9-4-2-3-7(6-16)11(9)17-13(18)10-5-8(14)12(15)19-10/h2-5H,6,16H2,1H3
InChIKeyLTDMKZITERYYSH-UHFFFAOYSA-N
MW401.13 g/mol
LogP4.29
Rot. Bonds2

About [2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine

[2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine (PubChem CID 104721511) has the molecular formula C13H11Br2N3S and a molecular weight of 401.13 g/mol. Its IUPAC name is [2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine
PubChem CID104721511
Molecular FormulaC13H11Br2N3S
Molecular Weight401.13 g/mol
Exact Mass398.90
IUPAC Name[2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine
SMILESCn1c(-c2cc(Br)c(Br)s2)nc2c(CN)cccc21
InChIInChI=1S/C13H11Br2N3S/c1-18-9-4-2-3-7(6-16)11(9)17-13(18)10-5-8(14)12(15)19-10/h2-5H,6,16H2,1H3
InChIKeyLTDMKZITERYYSH-UHFFFAOYSA-N
XLogP4.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.13
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromo-2,6-difluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721371
[2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721409
[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721523
[2-(5-bromo-2-chlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721545
[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721393
[2-(3-chloro-5-methylphenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721567
(1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine
CID 104721406
[1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine
CID 104721477
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498
(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine
CID 113445267
[1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine
CID 104721357
[2-(4,5-dibromothiophen-2-yl)-1-propylbenzimidazol-5-yl]methanamine
CID 80537091

Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine?
The IUPAC name of [2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine (CID 104721511) is [2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine is Cn1c(-c2cc(Br)c(Br)s2)nc2c(CN)cccc21.
What is the InChIKey of [2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine?
The InChIKey is LTDMKZITERYYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3S/c1-18-9-4-2-3-7(6-16)11(9)17-13(18)10-5-8(14)12(15)19-10/h2-5H,6,16H2,1H3.
What are the key properties of [2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine?
[2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine has a molecular weight of 401.13 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).