1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine

C10H11BrN4 — CID 112582414

IUPAC1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESBrc1cccc(CNCc2ncc[nH]2)n1
InChIInChI=1S/C10H11BrN4/c11-9-3-1-2-8(15-9)6-12-7-10-13-4-5-14-10/h1-5,12H,6-7H2,(H,13,14)
InChIKeyBJCXQRIVRABKHA-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.86
Rot. Bonds4

About 1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine

1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine (PubChem CID 112582414) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine
PubChem CID112582414
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESBrc1cccc(CNCc2ncc[nH]2)n1
InChIInChI=1S/C10H11BrN4/c11-9-3-1-2-8(15-9)6-12-7-10-13-4-5-14-10/h1-5,12H,6-7H2,(H,13,14)
InChIKeyBJCXQRIVRABKHA-UHFFFAOYSA-N
XLogP1.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
CID 63001095
3-[(1H-imidazol-2-ylmethylamino)methyl]benzene-1,2-diol
CID 64548372
4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
CID 115978503
3-[(1H-imidazol-2-ylmethylamino)methyl]benzenethiol
CID 145471608
1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392443
N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 78922115
2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide
CID 112581934
1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 72697709
1-(3-bromo-4-methylphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 105401529
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698840
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
CID 112581892
3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 64547030

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine (CID 112582414) is 1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine is Brc1cccc(CNCc2ncc[nH]2)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
The InChIKey is BJCXQRIVRABKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-9-3-1-2-8(15-9)6-12-7-10-13-4-5-14-10/h1-5,12H,6-7H2,(H,13,14).
What are the key properties of 1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine has a molecular weight of 267.13 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 112582414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).