1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine

C17H23N3 — CID 106559875

IUPAC1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
SMILESCc1ccc(CNc2nc(C)cn2C2CCCC2)cc1
InChIInChI=1S/C17H23N3/c1-13-7-9-15(10-8-13)11-18-17-19-14(2)12-20(17)16-5-3-4-6-16/h7-10,12,16H,3-6,11H2,1-2H3,(H,18,19)
InChIKeyFHSCKRUVPPAUIY-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.23
Rot. Bonds4

About 1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine

1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine (PubChem CID 106559875) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
PubChem CID106559875
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
SMILESCc1ccc(CNc2nc(C)cn2C2CCCC2)cc1
InChIInChI=1S/C17H23N3/c1-13-7-9-15(10-8-13)11-18-17-19-14(2)12-20(17)16-5-3-4-6-16/h7-10,12,16H,3-6,11H2,1-2H3,(H,18,19)
InChIKeyFHSCKRUVPPAUIY-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.23
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-[(4-methylphenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine (CID 106559875) is 1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine is Cc1ccc(CNc2nc(C)cn2C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine?
The InChIKey is FHSCKRUVPPAUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-7-9-15(10-8-13)11-18-17-19-14(2)12-20(17)16-5-3-4-6-16/h7-10,12,16H,3-6,11H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine?
1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.23, 4 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-[(4-methylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106559875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).