2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide

C19H21N5O4 — CID 23633741

IUPAC2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)nc1
InChIInChI=1S/C19H21N5O4/c1-12(2)28-14-7-8-15(20-9-14)13(3)22-18(25)10-23-11-21-16-5-4-6-17(19(16)23)24(26)27/h4-9,11-13H,10H2,1-3H3,(H,22,25)
InChIKeyWBKFHDHTNICJJW-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.00
Rot. Bonds7

About 2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide

2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide (PubChem CID 23633741) 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-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide
PubChem CID23633741
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)nc1
InChIInChI=1S/C19H21N5O4/c1-12(2)28-14-7-8-15(20-9-14)13(3)22-18(25)10-23-11-21-16-5-4-6-17(19(16)23)24(26)27/h4-9,11-13H,10H2,1-3H3,(H,22,25)
InChIKeyWBKFHDHTNICJJW-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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Related Compounds

2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide
CID 23633746
N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 67499638
N-[1-[4-[(2S)-but-3-yn-2-yl]oxyphenyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 23633529
N-[1-[4-[chloro(difluoro)methyl]phenyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 23633531
N-[1-[5-chloro-6-(2-fluoroethoxy)-3-pyridinyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 23633892
N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide
CID 23633745
N-[3,5-bis(2-ethoxyethoxy)phenyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 69264166
2-(7-acetylbenzimidazol-1-yl)-N-[1-[4-(1,3-difluoropropan-2-yloxy)phenyl]ethyl]acetamide
CID 23634328
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 11517656
2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060695
2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 60533590
2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 8700559

Frequently Asked Questions

What is the IUPAC name of 2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide (CID 23633741) is 2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide is CC(C)Oc1ccc(C(C)NC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)nc1.
What is the InChIKey of 2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide?
The InChIKey is WBKFHDHTNICJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-12(2)28-14-7-8-15(20-9-14)13(3)22-18(25)10-23-11-21-16-5-4-6-17(19(16)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-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide?
2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-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-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 23633741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).