N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline

C16H20N4 — CID 22493233

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline
SMILESCc1ccc(-c2ccccc2NCC2=NCCN2)n1C
InChIInChI=1S/C16H20N4/c1-12-7-8-15(20(12)2)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,19H,9-11H2,1-2H3,(H,17,18)
InChIKeyXEIJZOXXUFREDJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.41
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline (PubChem CID 22493233) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline
PubChem CID22493233
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline
SMILESCc1ccc(-c2ccccc2NCC2=NCCN2)n1C
InChIInChI=1S/C16H20N4/c1-12-7-8-15(20(12)2)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,19H,9-11H2,1-2H3,(H,17,18)
InChIKeyXEIJZOXXUFREDJ-UHFFFAOYSA-N
XLogP2.41
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

N-(1-Methyl-1H-indol-2-ylmethyl)-N-phenylamine
CID 42776886
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylaniline
CID 9816460
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrrol-2-yl)aniline
CID 9859855
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrrol-2-yl)aniline
CID 9881853
2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methylindole
CID 13869690
2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-1H-indole
CID 13869716
N-[2-[3-(Trifluoromethyl)-2-pyridinyl]phenyl]-2-imidazoline-2-methanamine
CID 22493287
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline
CID 22493356
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline
CID 22493392
trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-phenethylethane-1,2-diamine
CID 49837388
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride
CID 127045823
2-(2-imidazolin-2-yl)-1-phenyl-1H-indole
CID 10220854

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline (CID 22493233) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline is Cc1ccc(-c2ccccc2NCC2=NCCN2)n1C.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline?
The InChIKey is XEIJZOXXUFREDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-7-8-15(20(12)2)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,19H,9-11H2,1-2H3,(H,17,18).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline has a molecular weight of 268.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethylpyrrol-2-yl)aniline is sourced from PubChem (CID 22493233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).