3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine

C21H25ClN4 — CID 10177103

IUPAC3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(CCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C21H25ClN4/c1-26(13-4-5-19-15-23-16-25-19)14-11-20(21-6-2-3-12-24-21)17-7-9-18(22)10-8-17/h2-3,6-10,12,15-16,20H,4-5,11,13-14H2,1H3,(H,23,25)
InChIKeyYSBZGIJBIATWMA-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.54
Rot. Bonds9

About 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine

3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 10177103) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine
PubChem CID10177103
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC Name3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(CCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C21H25ClN4/c1-26(13-4-5-19-15-23-16-25-19)14-11-20(21-6-2-3-12-24-21)17-7-9-18(22)10-8-17/h2-3,6-10,12,15-16,20H,4-5,11,13-14H2,1H3,(H,23,25)
InChIKeyYSBZGIJBIATWMA-UHFFFAOYSA-N
XLogP4.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine (CID 10177103) is 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine is CN(CCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is YSBZGIJBIATWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4/c1-26(13-4-5-19-15-23-16-25-19)14-11-20(21-6-2-3-12-24-21)17-7-9-18(22)10-8-17/h2-3,6-10,12,15-16,20H,4-5,11,13-14H2,1H3,(H,23,25).
What are the key properties of 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine?
3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 368.91 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 10177103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).