3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide

C22H25ClN4O — CID 10222417

IUPAC3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide
SMILESCN(CCCCc1cnc[nH]1)C(=O)CC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C22H25ClN4O/c1-27(13-5-3-6-19-15-24-16-26-19)22(28)14-20(21-7-2-4-12-25-21)17-8-10-18(23)11-9-17/h2,4,7-12,15-16,20H,3,5-6,13-14H2,1H3,(H,24,26)
InChIKeyZXXVRXKRXSJBCZ-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.46
Rot. Bonds9

About 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide

3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide (PubChem CID 10222417) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide
PubChem CID10222417
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide
SMILESCN(CCCCc1cnc[nH]1)C(=O)CC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C22H25ClN4O/c1-27(13-5-3-6-19-15-24-16-26-19)22(28)14-20(21-7-2-4-12-25-21)17-8-10-18(23)11-9-17/h2,4,7-12,15-16,20H,3,5-6,13-14H2,1H3,(H,24,26)
InChIKeyZXXVRXKRXSJBCZ-UHFFFAOYSA-N
XLogP4.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide (CID 10222417) is 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide is CN(CCCCc1cnc[nH]1)C(=O)CC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide?
The InChIKey is ZXXVRXKRXSJBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-27(13-5-3-6-19-15-24-16-26-19)22(28)14-20(21-7-2-4-12-25-21)17-8-10-18(23)11-9-17/h2,4,7-12,15-16,20H,3,5-6,13-14H2,1H3,(H,24,26).
What are the key properties of 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide?
3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide has a molecular weight of 396.92 g/mol, XLogP of 4.46, 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-[4-(1H-imidazol-5-yl)butyl]-N-methyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 10222417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).