1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine

C14H18ClN3 — CID 107641151

IUPAC1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
SMILESCc1ccc(Cl)c(-n2cncc2C(N)C(C)C)c1
InChIInChI=1S/C14H18ClN3/c1-9(2)14(16)13-7-17-8-18(13)12-6-10(3)4-5-11(12)15/h4-9,14H,16H2,1-3H3
InChIKeyJYGXRWIGCMLLEQ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.49
Rot. Bonds3

About 1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine

1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine (PubChem CID 107641151) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
PubChem CID107641151
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
SMILESCc1ccc(Cl)c(-n2cncc2C(N)C(C)C)c1
InChIInChI=1S/C14H18ClN3/c1-9(2)14(16)13-7-17-8-18(13)12-6-10(3)4-5-11(12)15/h4-9,14H,16H2,1-3H3
InChIKeyJYGXRWIGCMLLEQ-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine (CID 107641151) is 1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine is Cc1ccc(Cl)c(-n2cncc2C(N)C(C)C)c1.
What is the InChIKey of 1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is JYGXRWIGCMLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9(2)14(16)13-7-17-8-18(13)12-6-10(3)4-5-11(12)15/h4-9,14H,16H2,1-3H3.
What are the key properties of 1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine?
1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 107641151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).