N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline

C22H25N3 — CID 177207803

IUPACN-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
SMILESCC(CNc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccccc1
InChIInChI=1S/C22H25N3/c1-17(18-7-3-2-4-8-18)15-23-20-12-10-19(11-13-20)21-16-25-14-6-5-9-22(25)24-21/h2-4,7-8,10-13,16-17,23H,5-6,9,14-15H2,1H3
InChIKeyFRQBPUNKGRBBHW-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.10
Rot. Bonds5

About N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline

N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline (PubChem CID 177207803) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline.

Molecular Properties

Compound NameN-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
PubChem CID177207803
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC NameN-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
SMILESCC(CNc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccccc1
InChIInChI=1S/C22H25N3/c1-17(18-7-3-2-4-8-18)15-23-20-12-10-19(11-13-20)21-16-25-14-6-5-9-22(25)24-21/h2-4,7-8,10-13,16-17,23H,5-6,9,14-15H2,1H3
InChIKeyFRQBPUNKGRBBHW-UHFFFAOYSA-N
XLogP5.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82117431
1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075859
3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride
CID 119953344
2-(4-phenylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 3697667
N-[(3-chloro-1-methylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
CID 154842880
N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
CID 167876054
N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]formamide
CID 168652444
2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline
CID 177207868
2-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83218637
4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-N-[1-(1,2-thiazol-3-yl)ethyl]aniline
CID 154846766
2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrobromide
CID 44789328
2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 71937815

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline?
The IUPAC name of N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline (CID 177207803) is N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline.
What is the SMILES notation for N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline?
The canonical SMILES for N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline is CC(CNc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline?
The InChIKey is FRQBPUNKGRBBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-17(18-7-3-2-4-8-18)15-23-20-12-10-19(11-13-20)21-16-25-14-6-5-9-22(25)24-21/h2-4,7-8,10-13,16-17,23H,5-6,9,14-15H2,1H3.
What are the key properties of N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline?
N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline has a molecular weight of 331.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline is sourced from PubChem (CID 177207803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).