(5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine

C10H9Br2N3 — CID 116835371

IUPAC(5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine
SMILESNC(c1ncc(Br)[nH]1)c1ccccc1Br
InChIInChI=1S/C10H9Br2N3/c11-7-4-2-1-3-6(7)9(13)10-14-5-8(12)15-10/h1-5,9H,13H2,(H,14,15)
InChIKeyKLMVWKFNRFNXJT-UHFFFAOYSA-N
MW331.01 g/mol
LogP2.98
Rot. Bonds2

About (5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine

(5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine (PubChem CID 116835371) has the molecular formula C10H9Br2N3 and a molecular weight of 331.01 g/mol. Its IUPAC name is (5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine
PubChem CID116835371
Molecular FormulaC10H9Br2N3
Molecular Weight331.01 g/mol
Exact Mass328.92
IUPAC Name(5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine
SMILESNC(c1ncc(Br)[nH]1)c1ccccc1Br
InChIInChI=1S/C10H9Br2N3/c11-7-4-2-1-3-6(7)9(13)10-14-5-8(12)15-10/h1-5,9H,13H2,(H,14,15)
InChIKeyKLMVWKFNRFNXJT-UHFFFAOYSA-N
XLogP2.98
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.01
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-pyrazin-2-ylmethanamine
CID 63970477
1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 18934579
(2-bromophenyl)methanediamine
CID 22286781
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374409
(2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 115049664
(2-bromophenyl)-(2,3-difluorophenyl)methanamine
CID 63989436
(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104167
1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
2-(5-bromo-1H-imidazol-2-yl)-2-pyridin-3-ylethanamine
CID 116835110
2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine
CID 116835015
(5-chloro-1H-imidazol-2-yl)-phenylmethanamine
CID 174450626

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine?
The IUPAC name of (5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine (CID 116835371) is (5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine.
What is the SMILES notation for (5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine?
The canonical SMILES for (5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine is NC(c1ncc(Br)[nH]1)c1ccccc1Br.
What is the InChIKey of (5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine?
The InChIKey is KLMVWKFNRFNXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3/c11-7-4-2-1-3-6(7)9(13)10-14-5-8(12)15-10/h1-5,9H,13H2,(H,14,15).
What are the key properties of (5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine?
(5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine has a molecular weight of 331.01 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-imidazol-2-yl)-(2-bromophenyl)methanamine is sourced from PubChem (CID 116835371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).