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

C14H18ClN3O — CID 106570134

IUPAC1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1Cc1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-19-9-3-6-16-14-17-7-8-18(14)11-12-4-2-5-13(15)10-12/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,16,17)
InChIKeyJXZXPJKMEFABLO-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.03
Rot. Bonds7

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

1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106570134) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106570134
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1Cc1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-19-9-3-6-16-14-17-7-8-18(14)11-12-4-2-5-13(15)10-12/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,16,17)
InChIKeyJXZXPJKMEFABLO-UHFFFAOYSA-N
XLogP3.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.03
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-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563262
1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine
CID 106570141
N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106569348
1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106562539
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106560326
1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106569818
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine
CID 106582260
N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
CID 106570097
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
1-[(3-chlorophenyl)methyl]-2-iodoimidazole
CID 131631931

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine (CID 106570134) is 1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is JXZXPJKMEFABLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-19-9-3-6-16-14-17-7-8-18(14)11-12-4-2-5-13(15)10-12/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,16,17).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine?
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 279.77 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106570134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).