N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine

C16H23N3 — CID 106567411

IUPACN-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine
SMILESCCCCNc1nccn1C(C)c1ccccc1C
InChIInChI=1S/C16H23N3/c1-4-5-10-17-16-18-11-12-19(16)14(3)15-9-7-6-8-13(15)2/h6-9,11-12,14H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyXFQVSFDTCFIRBM-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.01
Rot. Bonds6

About N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine

N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine (PubChem CID 106567411) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine
PubChem CID106567411
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine
SMILESCCCCNc1nccn1C(C)c1ccccc1C
InChIInChI=1S/C16H23N3/c1-4-5-10-17-16-18-11-12-19(16)14(3)15-9-7-6-8-13(15)2/h6-9,11-12,14H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyXFQVSFDTCFIRBM-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine?
The IUPAC name of N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine (CID 106567411) is N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine?
The canonical SMILES for N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine is CCCCNc1nccn1C(C)c1ccccc1C.
What is the InChIKey of N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine?
The InChIKey is XFQVSFDTCFIRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-5-10-17-16-18-11-12-19(16)14(3)15-9-7-6-8-13(15)2/h6-9,11-12,14H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine?
N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106567411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).