2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine

C13H16ClN3 — CID 65233339

IUPAC2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
SMILESCc1[nH]c(C(C)CN)nc1-c1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-8(7-15)13-16-9(2)12(17-13)10-4-3-5-11(14)6-10/h3-6,8H,7,15H2,1-2H3,(H,16,17)
InChIKeyKAUNCGXZIOBWHB-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.10
Rot. Bonds3

About 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine

2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine (PubChem CID 65233339) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
PubChem CID65233339
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
SMILESCc1[nH]c(C(C)CN)nc1-c1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-8(7-15)13-16-9(2)12(17-13)10-4-3-5-11(14)6-10/h3-6,8H,7,15H2,1-2H3,(H,16,17)
InChIKeyKAUNCGXZIOBWHB-UHFFFAOYSA-N
XLogP3.10
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine (CID 65233339) is 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine is Cc1[nH]c(C(C)CN)nc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is KAUNCGXZIOBWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-8(7-15)13-16-9(2)12(17-13)10-4-3-5-11(14)6-10/h3-6,8H,7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 249.75 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 65233339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).