[2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine

C16H16BrN3O — CID 104721409

IUPAC[2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine
SMILESCOc1ccc(Br)c(-c2nc3c(CN)cccc3n2C)c1
InChIInChI=1S/C16H16BrN3O/c1-20-14-5-3-4-10(9-18)15(14)19-16(20)12-8-11(21-2)6-7-13(12)17/h3-8H,9,18H2,1-2H3
InChIKeyUUASPOVZRIOEEM-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.47
Rot. Bonds3

About [2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine

[2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine (PubChem CID 104721409) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is [2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine
PubChem CID104721409
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name[2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine
SMILESCOc1ccc(Br)c(-c2nc3c(CN)cccc3n2C)c1
InChIInChI=1S/C16H16BrN3O/c1-20-14-5-3-4-10(9-18)15(14)19-16(20)12-8-11(21-2)6-7-13(12)17/h3-8H,9,18H2,1-2H3
InChIKeyUUASPOVZRIOEEM-UHFFFAOYSA-N
XLogP3.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721511
[2-(4-bromo-2,6-difluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721371
[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
[2-(2-methoxy-2-methylpropyl)-1-methylbenzimidazol-4-yl]methanamine
CID 103022652
[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine
CID 84606680
[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179787
2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide
CID 10540772

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine?
The IUPAC name of [2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine (CID 104721409) is [2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine is COc1ccc(Br)c(-c2nc3c(CN)cccc3n2C)c1.
What is the InChIKey of [2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine?
The InChIKey is UUASPOVZRIOEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-20-14-5-3-4-10(9-18)15(14)19-16(20)12-8-11(21-2)6-7-13(12)17/h3-8H,9,18H2,1-2H3.
What are the key properties of [2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine?
[2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine has a molecular weight of 346.23 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).