N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine

C12H15ClN4O — CID 103445386

IUPACN-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(-c2ncccc2Cl)[nH]1
InChIInChI=1S/C12H15ClN4O/c1-18-6-5-14-7-9-8-16-12(17-9)11-10(13)3-2-4-15-11/h2-4,8,14H,5-7H2,1H3,(H,16,17)
InChIKeyRSONNEWTSOEWHE-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.86
Rot. Bonds6

About N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine

N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 103445386) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID103445386
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC NameN-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(-c2ncccc2Cl)[nH]1
InChIInChI=1S/C12H15ClN4O/c1-18-6-5-14-7-9-8-16-12(17-9)11-10(13)3-2-4-15-11/h2-4,8,14H,5-7H2,1H3,(H,16,17)
InChIKeyRSONNEWTSOEWHE-UHFFFAOYSA-N
XLogP1.86
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine 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-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 63109629
N-[[2-(2-chlorophenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109257
2-methoxy-N-[(2-propyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63109492
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 63109417
N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62755352
2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]ethanamine
CID 63109514
N-[(2-chloro-6-pyrimidin-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63804632
N-[[2-[(4-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 66057320
N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62748837
2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 116732229
N-[[3-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 81159226
2-[(2-methoxyethylamino)methyl]pyridin-3-amine
CID 104740028

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine (CID 103445386) is N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1cnc(-c2ncccc2Cl)[nH]1.
What is the InChIKey of N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is RSONNEWTSOEWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-18-6-5-14-7-9-8-16-12(17-9)11-10(13)3-2-4-15-11/h2-4,8,14H,5-7H2,1H3,(H,16,17).
What are the key properties of N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 266.73 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 103445386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).