5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine

C14H18ClN3 — CID 55048633

IUPAC5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
SMILESCCc1nc(-c2cccc(Cl)c2)c(N)n1C(C)C
InChIInChI=1S/C14H18ClN3/c1-4-12-17-13(14(16)18(12)9(2)3)10-6-5-7-11(15)8-10/h5-9H,4,16H2,1-3H3
InChIKeySXWLIXQFSMJLIE-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.93
Rot. Bonds3

About 5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine

5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine (PubChem CID 55048633) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
PubChem CID55048633
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
SMILESCCc1nc(-c2cccc(Cl)c2)c(N)n1C(C)C
InChIInChI=1S/C14H18ClN3/c1-4-12-17-13(14(16)18(12)9(2)3)10-6-5-7-11(15)8-10/h5-9H,4,16H2,1-3H3
InChIKeySXWLIXQFSMJLIE-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine (CID 55048633) is 5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine is CCc1nc(-c2cccc(Cl)c2)c(N)n1C(C)C.
What is the InChIKey of 5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is SXWLIXQFSMJLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-12-17-13(14(16)18(12)9(2)3)10-6-5-7-11(15)8-10/h5-9H,4,16H2,1-3H3.
What are the key properties of 5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 263.77 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 55048633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).