1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride

C10H12Cl2N4 — CID 115607264

IUPAC1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride
SMILESCl.Clc1ccc(CNCc2cnc[nH]2)cn1
InChIInChI=1S/C10H11ClN4.ClH/c11-10-2-1-8(4-14-10)3-12-5-9-6-13-7-15-9;/h1-2,4,6-7,12H,3,5H2,(H,13,15);1H
InChIKeyMMUQQOINUSNDIK-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.17
Rot. Bonds4

About 1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride

1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride (PubChem CID 115607264) has the molecular formula C10H12Cl2N4 and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride
PubChem CID115607264
Molecular FormulaC10H12Cl2N4
Molecular Weight259.14 g/mol
Exact Mass258.04
IUPAC Name1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride
SMILESCl.Clc1ccc(CNCc2cnc[nH]2)cn1
InChIInChI=1S/C10H11ClN4.ClH/c11-10-2-1-8(4-14-10)3-12-5-9-6-13-7-15-9;/h1-2,4,6-7,12H,3,5H2,(H,13,15);1H
InChIKeyMMUQQOINUSNDIK-UHFFFAOYSA-N
XLogP2.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.17
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

1-(3-chloro-4-methylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 106816903
2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703
1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 79984096
N-(1H-imidazol-5-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
CID 66407683
N-(1H-imidazol-5-ylmethyl)-1-(4-nitrophenyl)methanamine
CID 55109637
N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 63001032
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
N-(1H-imidazol-5-ylmethyl)-1-(3-methylphenyl)methanamine
CID 62762804
1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine
CID 83338791
2-(1H-imidazol-5-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936779
2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride
CID 115607686
2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 59728068

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride (CID 115607264) is 1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride is Cl.Clc1ccc(CNCc2cnc[nH]2)cn1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride?
The InChIKey is MMUQQOINUSNDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4.ClH/c11-10-2-1-8(4-14-10)3-12-5-9-6-13-7-15-9;/h1-2,4,6-7,12H,3,5H2,(H,13,15);1H.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride?
1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride has a molecular weight of 259.14 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 115607264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).