3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline

C11H12BrN3 — CID 43087909

IUPAC3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1CNc1cccc(Br)c1
InChIInChI=1S/C11H12BrN3/c1-15-6-5-13-11(15)8-14-10-4-2-3-9(12)7-10/h2-7,14H,8H2,1H3
InChIKeyRUAOBYXVEYJYRL-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.79
Rot. Bonds3

About 3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline

3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 43087909) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID43087909
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1CNc1cccc(Br)c1
InChIInChI=1S/C11H12BrN3/c1-15-6-5-13-11(15)8-14-10-4-2-3-9(12)7-10/h2-7,14H,8H2,1H3
InChIKeyRUAOBYXVEYJYRL-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 55064678
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 62357401
N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 62357094
N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 60694837
N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62350456
4-bromo-2,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43142883
5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
CID 62355697
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 43087909) is 3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline is Cn1ccnc1CNc1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is RUAOBYXVEYJYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-15-6-5-13-11(15)8-14-10-4-2-3-9(12)7-10/h2-7,14H,8H2,1H3.
What are the key properties of 3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline?
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 266.14 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 43087909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).