[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine

C12H14ClN3O — CID 82298036

IUPAC[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
SMILESCc1cc(OCc2ncc(CN)[nH]2)ccc1Cl
InChIInChI=1S/C12H14ClN3O/c1-8-4-10(2-3-11(8)13)17-7-12-15-6-9(5-14)16-12/h2-4,6H,5,7,14H2,1H3,(H,15,16)
InChIKeyBLOMBLQNZFWNFJ-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.41
Rot. Bonds4

About [2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine

[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine (PubChem CID 82298036) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is [2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
PubChem CID82298036
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
SMILESCc1cc(OCc2ncc(CN)[nH]2)ccc1Cl
InChIInChI=1S/C12H14ClN3O/c1-8-4-10(2-3-11(8)13)17-7-12-15-6-9(5-14)16-12/h2-4,6H,5,7,14H2,1H3,(H,15,16)
InChIKeyBLOMBLQNZFWNFJ-UHFFFAOYSA-N
XLogP2.41
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292085
[2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 95474815
[2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292430
[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061736
5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82083976
5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057871
[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
CID 43530909
[3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 55077923
[2-(aminomethyl)-1H-imidazol-5-yl]methanamine
CID 54546826
[2-(propoxymethyl)-1H-imidazol-5-yl]methanamine
CID 63108990
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
5-bromo-2-chloro-4-[(4-chloro-3-methylphenoxy)methyl]pyridine
CID 118657703

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine (CID 82298036) is [2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine is Cc1cc(OCc2ncc(CN)[nH]2)ccc1Cl.
What is the InChIKey of [2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine?
The InChIKey is BLOMBLQNZFWNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8-4-10(2-3-11(8)13)17-7-12-15-6-9(5-14)16-12/h2-4,6H,5,7,14H2,1H3,(H,15,16).
What are the key properties of [2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine?
[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine has a molecular weight of 251.72 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 82298036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).