5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine

C15H20ClN3 — CID 106818256

IUPAC5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
SMILESCCc1nc(-c2ccc(C)c(Cl)c2)c(N)n1C(C)C
InChIInChI=1S/C15H20ClN3/c1-5-13-18-14(15(17)19(13)9(2)3)11-7-6-10(4)12(16)8-11/h6-9H,5,17H2,1-4H3
InChIKeyMOTDHBRMWIPPFN-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.24
Rot. Bonds3

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

5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine (PubChem CID 106818256) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
PubChem CID106818256
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
SMILESCCc1nc(-c2ccc(C)c(Cl)c2)c(N)n1C(C)C
InChIInChI=1S/C15H20ClN3/c1-5-13-18-14(15(17)19(13)9(2)3)11-7-6-10(4)12(16)8-11/h6-9H,5,17H2,1-4H3
InChIKeyMOTDHBRMWIPPFN-UHFFFAOYSA-N
XLogP4.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine (CID 106818256) is 5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine is CCc1nc(-c2ccc(C)c(Cl)c2)c(N)n1C(C)C.
What is the InChIKey of 5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is MOTDHBRMWIPPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-5-13-18-14(15(17)19(13)9(2)3)11-7-6-10(4)12(16)8-11/h6-9H,5,17H2,1-4H3.
What are the key properties of 5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 277.80 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 106818256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).