N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline

C16H16N4 — CID 141253763

IUPACN,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline
SMILESCN(C)c1cccc(-c2ncc(-c3cccnc3)[nH]2)c1
InChIInChI=1S/C16H16N4/c1-20(2)14-7-3-5-12(9-14)16-18-11-15(19-16)13-6-4-8-17-10-13/h3-11H,1-2H3,(H,18,19)
InChIKeyNFKWCSSKLYUYJO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.20
Rot. Bonds3

About N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline

N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline (PubChem CID 141253763) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline
PubChem CID141253763
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline
SMILESCN(C)c1cccc(-c2ncc(-c3cccnc3)[nH]2)c1
InChIInChI=1S/C16H16N4/c1-20(2)14-7-3-5-12(9-14)16-18-11-15(19-16)13-6-4-8-17-10-13/h3-11H,1-2H3,(H,18,19)
InChIKeyNFKWCSSKLYUYJO-UHFFFAOYSA-N
XLogP3.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline?
The IUPAC name of N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline (CID 141253763) is N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline is CN(C)c1cccc(-c2ncc(-c3cccnc3)[nH]2)c1.
What is the InChIKey of N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline?
The InChIKey is NFKWCSSKLYUYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-20(2)14-7-3-5-12(9-14)16-18-11-15(19-16)13-6-4-8-17-10-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline?
N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline has a molecular weight of 264.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline is sourced from PubChem (CID 141253763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).