2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid

C14H16BrN3O2 — CID 166268185

IUPAC2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
SMILESCc1ncc(CN(CC(=O)O)Cc2ccccc2Br)[nH]1
InChIInChI=1S/C14H16BrN3O2/c1-10-16-6-12(17-10)8-18(9-14(19)20)7-11-4-2-3-5-13(11)15/h2-6H,7-9H2,1H3,(H,16,17)(H,19,20)
InChIKeyUNGGLZPPFRCKDF-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.57
Rot. Bonds6

About 2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid

2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid (PubChem CID 166268185) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
PubChem CID166268185
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
SMILESCc1ncc(CN(CC(=O)O)Cc2ccccc2Br)[nH]1
InChIInChI=1S/C14H16BrN3O2/c1-10-16-6-12(17-10)8-18(9-14(19)20)7-11-4-2-3-5-13(11)15/h2-6H,7-9H2,1H3,(H,16,17)(H,19,20)
InChIKeyUNGGLZPPFRCKDF-UHFFFAOYSA-N
XLogP2.57
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenyl)methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetic acid
CID 166268190
2-[methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
CID 82407203
2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride
CID 67010725
2-bromobenzoic acid;5-butyl-2-methyl-1H-imidazole
CID 174693347
formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol
CID 154916330
2-[4-(4-ethylphenyl)butanoyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid;formic acid
CID 154916535
2-[(2-ethylphenyl)methyl-propylamino]acetic acid
CID 65064687
6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 61420530
4-[(2-bromophenyl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 77006236
2-[[3-[[bis(carboxymethyl)amino]methyl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid
CID 5242005
2-[2,1,3-benzoxadiazol-4-ylmethyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 135090448
N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
CID 81226226

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid (CID 166268185) is 2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid is Cc1ncc(CN(CC(=O)O)Cc2ccccc2Br)[nH]1.
What is the InChIKey of 2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid?
The InChIKey is UNGGLZPPFRCKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-10-16-6-12(17-10)8-18(9-14(19)20)7-11-4-2-3-5-13(11)15/h2-6H,7-9H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid?
2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid has a molecular weight of 338.21 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 166268185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).