5-(4-chlorophenyl)-1-pentylimidazol-2-amine

C14H18ClN3 — CID 50941024

IUPAC5-(4-chlorophenyl)-1-pentylimidazol-2-amine
SMILESCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C14H18ClN3/c1-2-3-4-9-18-13(10-17-14(18)16)11-5-7-12(15)8-6-11/h5-8,10H,2-4,9H2,1H3,(H2,16,17)
InChIKeyQYEUJJIQKWLAHH-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.98
Rot. Bonds5

About 5-(4-chlorophenyl)-1-pentylimidazol-2-amine

5-(4-chlorophenyl)-1-pentylimidazol-2-amine (PubChem CID 50941024) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-pentylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-pentylimidazol-2-amine
PubChem CID50941024
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name5-(4-chlorophenyl)-1-pentylimidazol-2-amine
SMILESCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C14H18ClN3/c1-2-3-4-9-18-13(10-17-14(18)16)11-5-7-12(15)8-6-11/h5-8,10H,2-4,9H2,1H3,(H2,16,17)
InChIKeyQYEUJJIQKWLAHH-UHFFFAOYSA-N
XLogP3.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-pentylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-pentylimidazol-2-amine (CID 50941024) is 5-(4-chlorophenyl)-1-pentylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-pentylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-pentylimidazol-2-amine is CCCCCn1c(-c2ccc(Cl)cc2)cnc1N.
What is the InChIKey of 5-(4-chlorophenyl)-1-pentylimidazol-2-amine?
The InChIKey is QYEUJJIQKWLAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-2-3-4-9-18-13(10-17-14(18)16)11-5-7-12(15)8-6-11/h5-8,10H,2-4,9H2,1H3,(H2,16,17).
What are the key properties of 5-(4-chlorophenyl)-1-pentylimidazol-2-amine?
5-(4-chlorophenyl)-1-pentylimidazol-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-pentylimidazol-2-amine is sourced from PubChem (CID 50941024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).