2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide

C19H21N5O4 — CID 23633746

IUPAC2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)cn1
InChIInChI=1S/C19H21N5O4/c1-12(2)28-18-8-7-14(9-20-18)13(3)22-17(25)10-23-11-21-15-5-4-6-16(19(15)23)24(26)27/h4-9,11-13H,10H2,1-3H3,(H,22,25)
InChIKeyDESYCKCHEYBIHM-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.00
Rot. Bonds7

About 2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide

2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide (PubChem CID 23633746) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide
PubChem CID23633746
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)cn1
InChIInChI=1S/C19H21N5O4/c1-12(2)28-18-8-7-14(9-20-18)13(3)22-17(25)10-23-11-21-15-5-4-6-16(19(15)23)24(26)27/h4-9,11-13H,10H2,1-3H3,(H,22,25)
InChIKeyDESYCKCHEYBIHM-UHFFFAOYSA-N
XLogP3.00
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide (CID 23633746) is 2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide is CC(C)Oc1ccc(C(C)NC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)cn1.
What is the InChIKey of 2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide?
The InChIKey is DESYCKCHEYBIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-12(2)28-18-8-7-14(9-20-18)13(3)22-17(25)10-23-11-21-15-5-4-6-16(19(15)23)24(26)27/h4-9,11-13H,10H2,1-3H3,(H,22,25).
What are the key properties of 2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide?
2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide has a molecular weight of 383.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 23633746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).