5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine

C14H19BrN4 — CID 82761508

IUPAC5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine
SMILESCc1ccc(Br)c(NCc2cnc(N(C)C)n2C)c1
InChIInChI=1S/C14H19BrN4/c1-10-5-6-12(15)13(7-10)16-8-11-9-17-14(18(2)3)19(11)4/h5-7,9,16H,8H2,1-4H3
InChIKeyBSSXJYMNBVCZMP-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.17
Rot. Bonds4

About 5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine

5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine (PubChem CID 82761508) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine.

Molecular Properties

Compound Name5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine
PubChem CID82761508
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine
SMILESCc1ccc(Br)c(NCc2cnc(N(C)C)n2C)c1
InChIInChI=1S/C14H19BrN4/c1-10-5-6-12(15)13(7-10)16-8-11-9-17-14(18(2)3)19(11)4/h5-7,9,16H,8H2,1-4H3
InChIKeyBSSXJYMNBVCZMP-UHFFFAOYSA-N
XLogP3.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine?
The IUPAC name of 5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine (CID 82761508) is 5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine.
What is the SMILES notation for 5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine?
The canonical SMILES for 5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine is Cc1ccc(Br)c(NCc2cnc(N(C)C)n2C)c1.
What is the InChIKey of 5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine?
The InChIKey is BSSXJYMNBVCZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-10-5-6-12(15)13(7-10)16-8-11-9-17-14(18(2)3)19(11)4/h5-7,9,16H,8H2,1-4H3.
What are the key properties of 5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine?
5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine has a molecular weight of 323.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine is sourced from PubChem (CID 82761508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).