[2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine

C16H16BrN3 — CID 104713039

IUPAC[2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(Cc2cccc(Br)c2)nc2ccc(CN)cc21
InChIInChI=1S/C16H16BrN3/c1-20-15-8-12(10-18)5-6-14(15)19-16(20)9-11-3-2-4-13(17)7-11/h2-8H,9-10,18H2,1H3
InChIKeyDDWZCIQDFVKFLK-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.39
Rot. Bonds3

About [2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine

[2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine (PubChem CID 104713039) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
PubChem CID104713039
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name[2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(Cc2cccc(Br)c2)nc2ccc(CN)cc21
InChIInChI=1S/C16H16BrN3/c1-20-15-8-12(10-18)5-6-14(15)19-16(20)9-11-3-2-4-13(17)7-11/h2-8H,9-10,18H2,1H3
InChIKeyDDWZCIQDFVKFLK-UHFFFAOYSA-N
XLogP3.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713141
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114212936
[2-(2,5-dibromophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114375973
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
[3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine
CID 104712932
[2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine
CID 79004444
[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine
CID 103167106
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
[3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine
CID 104712925
[3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazol-5-yl]methanamine
CID 103213116
magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine (CID 104713039) is [2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine is Cn1c(Cc2cccc(Br)c2)nc2ccc(CN)cc21.
What is the InChIKey of [2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine?
The InChIKey is DDWZCIQDFVKFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-20-15-8-12(10-18)5-6-14(15)19-16(20)9-11-3-2-4-13(17)7-11/h2-8H,9-10,18H2,1H3.
What are the key properties of [2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine?
[2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine has a molecular weight of 330.23 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 104713039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).