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

C21H24ClN5 — CID 10156707

IUPACN'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide
SMILESN/C(CCCc1cnc[nH]1)=N/CCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C21H24ClN5/c22-17-9-7-16(8-10-17)19(20-5-1-2-12-25-20)11-13-26-21(23)6-3-4-18-14-24-15-27-18/h1-2,5,7-10,12,14-15,19H,3-4,6,11,13H2,(H2,23,26)(H,24,27)
InChIKeyBODDNEXOKSACRX-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.36
Rot. Bonds9

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

N'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide (PubChem CID 10156707) has the molecular formula C21H24ClN5 and a molecular weight of 381.91 g/mol. Its IUPAC name is N'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide.

Molecular Properties

Compound NameN'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide
PubChem CID10156707
Molecular FormulaC21H24ClN5
Molecular Weight381.91 g/mol
Exact Mass381.17
IUPAC NameN'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide
SMILESN/C(CCCc1cnc[nH]1)=N/CCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C21H24ClN5/c22-17-9-7-16(8-10-17)19(20-5-1-2-12-25-20)11-13-26-21(23)6-3-4-18-14-24-15-27-18/h1-2,5,7-10,12,14-15,19H,3-4,6,11,13H2,(H2,23,26)(H,24,27)
InChIKeyBODDNEXOKSACRX-UHFFFAOYSA-N
XLogP4.36
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide?
The IUPAC name of N'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide (CID 10156707) is N'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide.
What is the SMILES notation for N'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide?
The canonical SMILES for N'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide is N/C(CCCc1cnc[nH]1)=N/CCC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of N'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide?
The InChIKey is BODDNEXOKSACRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5/c22-17-9-7-16(8-10-17)19(20-5-1-2-12-25-20)11-13-26-21(23)6-3-4-18-14-24-15-27-18/h1-2,5,7-10,12,14-15,19H,3-4,6,11,13H2,(H2,23,26)(H,24,27).
What are the key properties of N'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide?
N'-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-yl)butanimidamide has a molecular weight of 381.91 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 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]-4-(1H-imidazol-5-yl)butanimidamide is sourced from PubChem (CID 10156707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).