N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline

C16H19N5 — CID 56909875

IUPACN-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline
SMILESCN(CCCn1ccnc1-c1cnc[nH]1)c1ccccc1
InChIInChI=1S/C16H19N5/c1-20(14-6-3-2-4-7-14)9-5-10-21-11-8-18-16(21)15-12-17-13-19-15/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,17,19)
InChIKeyJTVHRZALDDBOMS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.80
Rot. Bonds6

About N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline

N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline (PubChem CID 56909875) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline.

Molecular Properties

Compound NameN-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline
PubChem CID56909875
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline
SMILESCN(CCCn1ccnc1-c1cnc[nH]1)c1ccccc1
InChIInChI=1S/C16H19N5/c1-20(14-6-3-2-4-7-14)9-5-10-21-11-8-18-16(21)15-12-17-13-19-15/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,17,19)
InChIKeyJTVHRZALDDBOMS-UHFFFAOYSA-N
XLogP2.80
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline?
The IUPAC name of N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline (CID 56909875) is N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline.
What is the SMILES notation for N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline?
The canonical SMILES for N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline is CN(CCCn1ccnc1-c1cnc[nH]1)c1ccccc1.
What is the InChIKey of N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline?
The InChIKey is JTVHRZALDDBOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-20(14-6-3-2-4-7-14)9-5-10-21-11-8-18-16(21)15-12-17-13-19-15/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,17,19).
What are the key properties of N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline?
N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline has a molecular weight of 281.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-N-methylaniline is sourced from PubChem (CID 56909875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).