1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine

C16H23N3 — CID 106569430

IUPAC1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine
SMILESCCCCn1ccnc1NCCc1cccc(C)c1
InChIInChI=1S/C16H23N3/c1-3-4-11-19-12-10-18-16(19)17-9-8-15-7-5-6-14(2)13-15/h5-7,10,12-13H,3-4,8-9,11H2,1-2H3,(H,17,18)
InChIKeyJCVSRAPWVZXJIL-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.65
Rot. Bonds7

About 1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine

1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine (PubChem CID 106569430) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine
PubChem CID106569430
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine
SMILESCCCCn1ccnc1NCCc1cccc(C)c1
InChIInChI=1S/C16H23N3/c1-3-4-11-19-12-10-18-16(19)17-9-8-15-7-5-6-14(2)13-15/h5-7,10,12-13H,3-4,8-9,11H2,1-2H3,(H,17,18)
InChIKeyJCVSRAPWVZXJIL-UHFFFAOYSA-N
XLogP3.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-N-(3-methylphenyl)imidazol-2-amine
CID 106560213
N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563268
1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568584
N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563262
1-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563271
N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propylimidazol-2-amine
CID 106557556
N-hexyl-1-propylimidazol-2-amine
CID 106573792
1-butyl-N-(2-methylbutyl)imidazol-2-amine
CID 106570370
1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106562539
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine?
The IUPAC name of 1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine (CID 106569430) is 1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine is CCCCn1ccnc1NCCc1cccc(C)c1.
What is the InChIKey of 1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine?
The InChIKey is JCVSRAPWVZXJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-4-11-19-12-10-18-16(19)17-9-8-15-7-5-6-14(2)13-15/h5-7,10,12-13H,3-4,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine?
1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106569430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).