N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine

C17H25N3 — CID 62795802

IUPACN-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ncc(-c2cc(C)c(C)cc2C)[nH]1
InChIInChI=1S/C17H25N3/c1-6-14(5)18-10-17-19-9-16(20-17)15-8-12(3)11(2)7-13(15)4/h7-9,14,18H,6,10H2,1-5H3,(H,19,20)
InChIKeyDLCYWVZDTBYNFO-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.89
Rot. Bonds5

About N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine

N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine (PubChem CID 62795802) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
PubChem CID62795802
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ncc(-c2cc(C)c(C)cc2C)[nH]1
InChIInChI=1S/C17H25N3/c1-6-14(5)18-10-17-19-9-16(20-17)15-8-12(3)11(2)7-13(15)4/h7-9,14,18H,6,10H2,1-5H3,(H,19,20)
InChIKeyDLCYWVZDTBYNFO-UHFFFAOYSA-N
XLogP3.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The IUPAC name of N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine (CID 62795802) is N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine is CCC(C)NCc1ncc(-c2cc(C)c(C)cc2C)[nH]1.
What is the InChIKey of N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The InChIKey is DLCYWVZDTBYNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-14(5)18-10-17-19-9-16(20-17)15-8-12(3)11(2)7-13(15)4/h7-9,14,18H,6,10H2,1-5H3,(H,19,20).
What are the key properties of N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine?
N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 62795802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).