N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide

C21H23ClN4O — CID 23562985

IUPACN-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide
SMILESCN(CCC(c1ccc(Cl)cc1)c1ccccn1)C(=O)CCc1cnc[nH]1
InChIInChI=1S/C21H23ClN4O/c1-26(21(27)10-9-18-14-23-15-25-18)13-11-19(20-4-2-3-12-24-20)16-5-7-17(22)8-6-16/h2-8,12,14-15,19H,9-11,13H2,1H3,(H,23,25)
InChIKeyZRAKLIBDXCYNGY-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.07
Rot. Bonds8

About N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide

N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide (PubChem CID 23562985) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide
PubChem CID23562985
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide
SMILESCN(CCC(c1ccc(Cl)cc1)c1ccccn1)C(=O)CCc1cnc[nH]1
InChIInChI=1S/C21H23ClN4O/c1-26(21(27)10-9-18-14-23-15-25-18)13-11-19(20-4-2-3-12-24-20)16-5-7-17(22)8-6-16/h2-8,12,14-15,19H,9-11,13H2,1H3,(H,23,25)
InChIKeyZRAKLIBDXCYNGY-UHFFFAOYSA-N
XLogP4.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide?
The IUPAC name of N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide (CID 23562985) is N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide is CN(CCC(c1ccc(Cl)cc1)c1ccccn1)C(=O)CCc1cnc[nH]1.
What is the InChIKey of N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide?
The InChIKey is ZRAKLIBDXCYNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-26(21(27)10-9-18-14-23-15-25-18)13-11-19(20-4-2-3-12-24-20)16-5-7-17(22)8-6-16/h2-8,12,14-15,19H,9-11,13H2,1H3,(H,23,25).
What are the key properties of N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide?
N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide has a molecular weight of 382.90 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)-N-methylpropanamide is sourced from PubChem (CID 23562985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).