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

C16H23N3 — CID 106567442

IUPAC1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine
SMILESCCCCn1ccnc1NC(C)c1ccccc1C
InChIInChI=1S/C16H23N3/c1-4-5-11-19-12-10-17-16(19)18-14(3)15-9-7-6-8-13(15)2/h6-10,12,14H,4-5,11H2,1-3H3,(H,17,18)
InChIKeyZVXVNJHAIKOIDP-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.16
Rot. Bonds6

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

1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine (PubChem CID 106567442) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine
PubChem CID106567442
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine
SMILESCCCCn1ccnc1NC(C)c1ccccc1C
InChIInChI=1S/C16H23N3/c1-4-5-11-19-12-10-17-16(19)18-14(3)15-9-7-6-8-13(15)2/h6-10,12,14H,4-5,11H2,1-3H3,(H,17,18)
InChIKeyZVXVNJHAIKOIDP-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine?
The IUPAC name of 1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine (CID 106567442) is 1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine is CCCCn1ccnc1NC(C)c1ccccc1C.
What is the InChIKey of 1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine?
The InChIKey is ZVXVNJHAIKOIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-5-11-19-12-10-17-16(19)18-14(3)15-9-7-6-8-13(15)2/h6-10,12,14H,4-5,11H2,1-3H3,(H,17,18).
What are the key properties of 1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine?
1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106567442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).