N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide

C17H17N5O2 — CID 52992825

IUPACN-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(Oc2ncccn2)c1
InChIInChI=1S/C17H17N5O2/c23-16(19-8-3-10-22-11-9-18-13-22)14-4-1-5-15(12-14)24-17-20-6-2-7-21-17/h1-2,4-7,9,11-13H,3,8,10H2,(H,19,23)
InChIKeyYFBXUQBCDIIXMH-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.29
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide

N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide (PubChem CID 52992825) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide
PubChem CID52992825
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(Oc2ncccn2)c1
InChIInChI=1S/C17H17N5O2/c23-16(19-8-3-10-22-11-9-18-13-22)14-4-1-5-15(12-14)24-17-20-6-2-7-21-17/h1-2,4-7,9,11-13H,3,8,10H2,(H,19,23)
InChIKeyYFBXUQBCDIIXMH-UHFFFAOYSA-N
XLogP2.29
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
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N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
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CID 110485164
N-(3-imidazol-1-ylpropyl)-2-phenoxy-3-phenylquinoxaline-6-carboxamide
CID 118454046
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
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CID 55771311
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CID 28993545

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide (CID 52992825) is N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide is O=C(NCCCn1ccnc1)c1cccc(Oc2ncccn2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide?
The InChIKey is YFBXUQBCDIIXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-16(19-8-3-10-22-11-9-18-13-22)14-4-1-5-15(12-14)24-17-20-6-2-7-21-17/h1-2,4-7,9,11-13H,3,8,10H2,(H,19,23).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide?
N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide has a molecular weight of 323.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide is sourced from PubChem (CID 52992825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).