1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine

C18H25N3 — CID 106581012

IUPAC1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine
SMILESCc1cn(C2CCCC2)c(NCC(C)c2ccccc2)n1
InChIInChI=1S/C18H25N3/c1-14(16-8-4-3-5-9-16)12-19-18-20-15(2)13-21(18)17-10-6-7-11-17/h3-5,8-9,13-14,17H,6-7,10-12H2,1-2H3,(H,19,20)
InChIKeyXSXKZGJPHMMCTJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.52
Rot. Bonds5

About 1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine

1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine (PubChem CID 106581012) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine
PubChem CID106581012
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine
SMILESCc1cn(C2CCCC2)c(NCC(C)c2ccccc2)n1
InChIInChI=1S/C18H25N3/c1-14(16-8-4-3-5-9-16)12-19-18-20-15(2)13-21(18)17-10-6-7-11-17/h3-5,8-9,13-14,17H,6-7,10-12H2,1-2H3,(H,19,20)
InChIKeyXSXKZGJPHMMCTJ-UHFFFAOYSA-N
XLogP4.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine?
The IUPAC name of 1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine (CID 106581012) is 1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine is Cc1cn(C2CCCC2)c(NCC(C)c2ccccc2)n1.
What is the InChIKey of 1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine?
The InChIKey is XSXKZGJPHMMCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(16-8-4-3-5-9-16)12-19-18-20-15(2)13-21(18)17-10-6-7-11-17/h3-5,8-9,13-14,17H,6-7,10-12H2,1-2H3,(H,19,20).
What are the key properties of 1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine?
1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methyl-N-(2-phenylpropyl)imidazol-2-amine is sourced from PubChem (CID 106581012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).