N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline

C16H14BrN3 — CID 43678363

IUPACN-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline
SMILESBrc1ccccc1CNc1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H14BrN3/c17-16-7-2-1-4-13(16)11-19-14-5-3-6-15(10-14)20-9-8-18-12-20/h1-10,12,19H,11H2
InChIKeyNGZQIAAUUPRHJS-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.25
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline

N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline (PubChem CID 43678363) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline
PubChem CID43678363
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC NameN-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline
SMILESBrc1ccccc1CNc1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H14BrN3/c17-16-7-2-1-4-13(16)11-19-14-5-3-6-15(10-14)20-9-8-18-12-20/h1-10,12,19H,11H2
InChIKeyNGZQIAAUUPRHJS-UHFFFAOYSA-N
XLogP4.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
CID 43678312
N-[(3-bromothiophen-2-yl)methyl]-3-imidazol-1-ylaniline
CID 115379889
N-[(2-bromophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739976
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678377
N-[(4-fluoro-2-methylphenyl)methyl]-3-imidazol-1-ylaniline
CID 62134903
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
3-imidazol-1-yl-N-(2-phenylethyl)aniline
CID 43678331
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075
3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756648
3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868679
2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 107685401

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline (CID 43678363) is N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline is Brc1ccccc1CNc1cccc(-n2ccnc2)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline?
The InChIKey is NGZQIAAUUPRHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-16-7-2-1-4-13(16)11-19-14-5-3-6-15(10-14)20-9-8-18-12-20/h1-10,12,19H,11H2.
What are the key properties of N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline?
N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline has a molecular weight of 328.21 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline is sourced from PubChem (CID 43678363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).