N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline

C20H26N4 — CID 57041238

IUPACN-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
SMILESCCCCN1CCN=C1CN(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C20H26N4/c1-2-3-13-23-14-12-22-20(23)17-24(19-9-5-4-6-10-19)16-18-8-7-11-21-15-18/h4-11,15H,2-3,12-14,16-17H2,1H3
InChIKeyDDLXUKNNOBSLPD-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.60
Rot. Bonds8

About N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline

N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline (PubChem CID 57041238) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
PubChem CID57041238
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC NameN-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
SMILESCCCCN1CCN=C1CN(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C20H26N4/c1-2-3-13-23-14-12-22-20(23)17-24(19-9-5-4-6-10-19)16-18-8-7-11-21-15-18/h4-11,15H,2-3,12-14,16-17H2,1H3
InChIKeyDDLXUKNNOBSLPD-UHFFFAOYSA-N
XLogP3.60
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline
CID 15227534
N-benzyl-N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-2,4-dichloroaniline
CID 57061916
3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine
CID 68917390
N'-butyl-N'-phenyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 64584475
1-(3-methylpyrrolidin-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 86971794
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119433679
1-(1,4-diazepan-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 119418185
(2R,3R)-2-methyl-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-3-carboxylic acid
CID 122116407
1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354787
N,N-dibenzylaniline
CID 139071697
3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine
CID 11747457

Frequently Asked Questions

What is the IUPAC name of N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline (CID 57041238) is N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline is CCCCN1CCN=C1CN(Cc1cccnc1)c1ccccc1.
What is the InChIKey of N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is DDLXUKNNOBSLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-2-3-13-23-14-12-22-20(23)17-24(19-9-5-4-6-10-19)16-18-8-7-11-21-15-18/h4-11,15H,2-3,12-14,16-17H2,1H3.
What are the key properties of N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline?
N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 322.46 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 57041238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).