4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline

C22H25ClN4 — CID 72544648

IUPAC4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline
SMILESClc1ccc(NCc2cncn2CC2CCNCC2)cc1-c1ccccc1
InChIInChI=1S/C22H25ClN4/c23-22-7-6-19(12-21(22)18-4-2-1-3-5-18)26-14-20-13-25-16-27(20)15-17-8-10-24-11-9-17/h1-7,12-13,16-17,24,26H,8-11,14-15H2
InChIKeySTZZWJUFPVXWRG-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.82
Rot. Bonds6

About 4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline

4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline (PubChem CID 72544648) has the molecular formula C22H25ClN4 and a molecular weight of 380.92 g/mol. Its IUPAC name is 4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline
PubChem CID72544648
Molecular FormulaC22H25ClN4
Molecular Weight380.92 g/mol
Exact Mass380.18
IUPAC Name4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline
SMILESClc1ccc(NCc2cncn2CC2CCNCC2)cc1-c1ccccc1
InChIInChI=1S/C22H25ClN4/c23-22-7-6-19(12-21(22)18-4-2-1-3-5-18)26-14-20-13-25-16-27(20)15-17-8-10-24-11-9-17/h1-7,12-13,16-17,24,26H,8-11,14-15H2
InChIKeySTZZWJUFPVXWRG-UHFFFAOYSA-N
XLogP4.82
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline?
The IUPAC name of 4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline (CID 72544648) is 4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline.
What is the SMILES notation for 4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline?
The canonical SMILES for 4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline is Clc1ccc(NCc2cncn2CC2CCNCC2)cc1-c1ccccc1.
What is the InChIKey of 4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline?
The InChIKey is STZZWJUFPVXWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4/c23-22-7-6-19(12-21(22)18-4-2-1-3-5-18)26-14-20-13-25-16-27(20)15-17-8-10-24-11-9-17/h1-7,12-13,16-17,24,26H,8-11,14-15H2.
What are the key properties of 4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline?
4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline has a molecular weight of 380.92 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-phenyl-N-[[3-(piperidin-4-ylmethyl)imidazol-4-yl]methyl]aniline is sourced from PubChem (CID 72544648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).