N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine

C15H20ClN3O — CID 106557078

IUPACN-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1NCc1ccccc1Cl
InChIInChI=1S/C15H20ClN3O/c1-12-11-19(8-5-9-20-2)15(18-12)17-10-13-6-3-4-7-14(13)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,18)
InChIKeyRMGDENXACRGKBZ-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.49
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine

N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106557078) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106557078
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1NCc1ccccc1Cl
InChIInChI=1S/C15H20ClN3O/c1-12-11-19(8-5-9-20-2)15(18-12)17-10-13-6-3-4-7-14(13)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,18)
InChIKeyRMGDENXACRGKBZ-UHFFFAOYSA-N
XLogP3.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554458
1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106561174
N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine
CID 106557065
N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106555948
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106578795
1-(3-methoxypropyl)-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine
CID 106577043
N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106583265
1-(3-methoxypropyl)-4-methyl-N-(1-phenylpropyl)imidazol-2-amine
CID 106569610
N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
CID 106558822
1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557357
1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106558787

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106557078) is N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCn1cc(C)nc1NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is RMGDENXACRGKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-12-11-19(8-5-9-20-2)15(18-12)17-10-13-6-3-4-7-14(13)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 293.80 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106557078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).