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

C14H18ClN3O — CID 106558787

IUPAC1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-11-10-18(13-7-4-3-6-12(13)15)14(17-11)16-8-5-9-19-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17)
InChIKeyDMWYVCZXIFXKCZ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.28
Rot. Bonds6

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

1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106558787) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106558787
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-11-10-18(13-7-4-3-6-12(13)15)14(17-11)16-8-5-9-19-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17)
InChIKeyDMWYVCZXIFXKCZ-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.28
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

1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558751
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106577977
1-(2-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106558908
1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106568745
1-(4-chloro-3-methoxyphenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107623862
1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554124
N-(2-methoxyethyl)-4-methyl-1-(2-propylphenyl)imidazol-2-amine
CID 106567372
1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106563610
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106560326
N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
CID 107628198
1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555475
N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571880

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106558787) is 1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCNc1nc(C)cn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is DMWYVCZXIFXKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-11-10-18(13-7-4-3-6-12(13)15)14(17-11)16-8-5-9-19-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 279.77 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106558787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).