1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

C12H15ClN4 — CID 55150335

IUPAC1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN(Cc1ccc(Cl)nc1)Cc1nccn1C
InChIInChI=1S/C12H15ClN4/c1-16(9-12-14-5-6-17(12)2)8-10-3-4-11(13)15-7-10/h3-7H,8-9H2,1-2H3
InChIKeyVZGGHCGUOLYUHH-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.10
Rot. Bonds4

About 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 55150335) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID55150335
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN(Cc1ccc(Cl)nc1)Cc1nccn1C
InChIInChI=1S/C12H15ClN4/c1-16(9-12-14-5-6-17(12)2)8-10-3-4-11(13)15-7-10/h3-7H,8-9H2,1-2H3
InChIKeyVZGGHCGUOLYUHH-UHFFFAOYSA-N
XLogP2.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 55145577
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
2-[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]acetohydrazide
CID 105351792
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63025583
4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63013979
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 104740060
2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 112616300
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696115

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 55150335) is 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is CN(Cc1ccc(Cl)nc1)Cc1nccn1C.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is VZGGHCGUOLYUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-16(9-12-14-5-6-17(12)2)8-10-3-4-11(13)15-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 250.73 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 55150335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).