N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline

C15H16N4 — CID 22493392

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline
SMILESc1ccc(-c2ccccc2NCC2=NCCN2)nc1
InChIInChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18)
InChIKeyGXGVZZFPDOETFM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.16
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline (PubChem CID 22493392) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline
PubChem CID22493392
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline
SMILESc1ccc(-c2ccccc2NCC2=NCCN2)nc1
InChIInChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18)
InChIKeyGXGVZZFPDOETFM-UHFFFAOYSA-N
XLogP2.16
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline (CID 22493392) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline is c1ccc(-c2ccccc2NCC2=NCCN2)nc1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline?
The InChIKey is GXGVZZFPDOETFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyridin-2-ylaniline has a molecular weight of 252.32 g/mol, XLogP of 2.16, 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-pyridin-2-ylaniline is sourced from PubChem (CID 22493392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).