3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline

C17H18N4 — CID 43737857

IUPAC3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline
SMILESCC(Nc1cccc(Cn2ccnc2)c1)c1cccnc1
InChIInChI=1S/C17H18N4/c1-14(16-5-3-7-18-11-16)20-17-6-2-4-15(10-17)12-21-9-8-19-13-21/h2-11,13-14,20H,12H2,1H3
InChIKeyLHGCFCRGWPIMIA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.50
Rot. Bonds5

About 3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline

3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline (PubChem CID 43737857) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline
PubChem CID43737857
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline
SMILESCC(Nc1cccc(Cn2ccnc2)c1)c1cccnc1
InChIInChI=1S/C17H18N4/c1-14(16-5-3-7-18-11-16)20-17-6-2-4-15(10-17)12-21-9-8-19-13-21/h2-11,13-14,20H,12H2,1H3
InChIKeyLHGCFCRGWPIMIA-UHFFFAOYSA-N
XLogP3.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline 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 3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline (CID 43737857) is 3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline is CC(Nc1cccc(Cn2ccnc2)c1)c1cccnc1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline?
The InChIKey is LHGCFCRGWPIMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-14(16-5-3-7-18-11-16)20-17-6-2-4-15(10-17)12-21-9-8-19-13-21/h2-11,13-14,20H,12H2,1H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline?
3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline has a molecular weight of 278.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-N-(1-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 43737857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).