2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide

C18H17ClN4O2 — CID 75424281

IUPAC2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C18H17ClN4O2/c1-2-15(25-16-6-4-3-5-14(16)19)18(24)22-13-7-8-17(21-11-13)23-10-9-20-12-23/h3-12,15H,2H2,1H3,(H,22,24)
InChIKeyWMVZPOXHLFHJKT-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.72
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide

2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide (PubChem CID 75424281) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
PubChem CID75424281
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C18H17ClN4O2/c1-2-15(25-16-6-4-3-5-14(16)19)18(24)22-13-7-8-17(21-11-13)23-10-9-20-12-23/h3-12,15H,2H2,1H3,(H,22,24)
InChIKeyWMVZPOXHLFHJKT-UHFFFAOYSA-N
XLogP3.72
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 62855029
(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide
CID 95292032
2-(2-chlorophenoxy)-N-(4-methoxyphenyl)butanamide
CID 43915879
2-amino-N-(6-imidazol-1-yl-3-pyridinyl)-3-methoxypropanamide
CID 81082774
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
2-(aminomethyl)-N-(6-imidazol-1-yl-3-pyridinyl)pentanamide
CID 65225245
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
ethyl 2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 90564814
(2R)-2-(2-chlorophenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
CID 92646271
(2S)-2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131495

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide (CID 75424281) is 2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide is CCC(Oc1ccccc1Cl)C(=O)Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide?
The InChIKey is WMVZPOXHLFHJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-2-15(25-16-6-4-3-5-14(16)19)18(24)22-13-7-8-17(21-11-13)23-10-9-20-12-23/h3-12,15H,2H2,1H3,(H,22,24).
What are the key properties of 2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide?
2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide has a molecular weight of 356.81 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 75424281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).