2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine

C16H22N4 — CID 62506108

IUPAC2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine
SMILESCc1ccc(-c2nc(C3CCCC3)n(N)c2N)cc1C
InChIInChI=1S/C16H22N4/c1-10-7-8-13(9-11(10)2)14-15(17)20(18)16(19-14)12-5-3-4-6-12/h7-9,12H,3-6,17-18H2,1-2H3
InChIKeyGHGIBPBURHPSMJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.12
Rot. Bonds2

About 2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine

2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine (PubChem CID 62506108) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine.

Molecular Properties

Compound Name2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine
PubChem CID62506108
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine
SMILESCc1ccc(-c2nc(C3CCCC3)n(N)c2N)cc1C
InChIInChI=1S/C16H22N4/c1-10-7-8-13(9-11(10)2)14-15(17)20(18)16(19-14)12-5-3-4-6-12/h7-9,12H,3-6,17-18H2,1-2H3
InChIKeyGHGIBPBURHPSMJ-UHFFFAOYSA-N
XLogP3.12
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine?
The IUPAC name of 2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine (CID 62506108) is 2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine.
What is the SMILES notation for 2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine?
The canonical SMILES for 2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine is Cc1ccc(-c2nc(C3CCCC3)n(N)c2N)cc1C.
What is the InChIKey of 2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine?
The InChIKey is GHGIBPBURHPSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-10-7-8-13(9-11(10)2)14-15(17)20(18)16(19-14)12-5-3-4-6-12/h7-9,12H,3-6,17-18H2,1-2H3.
What are the key properties of 2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine?
2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine is sourced from PubChem (CID 62506108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).