N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide

C21H21N5O2 — CID 167882891

IUPACN-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide
SMILESO=C1CC2(CNC2)C(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)N1
InChIInChI=1S/C21H21N5O2/c27-18-9-21(11-22-12-21)19(25-18)20(28)23-10-14-5-7-15(8-6-14)26-13-24-16-3-1-2-4-17(16)26/h1-8,13,19,22H,9-12H2,(H,23,28)(H,25,27)
InChIKeySZOGANOWGHZNBP-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.12
Rot. Bonds4

About N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide

N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide (PubChem CID 167882891) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide
PubChem CID167882891
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide
SMILESO=C1CC2(CNC2)C(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)N1
InChIInChI=1S/C21H21N5O2/c27-18-9-21(11-22-12-21)19(25-18)20(28)23-10-14-5-7-15(8-6-14)26-13-24-16-3-1-2-4-17(16)26/h1-8,13,19,22H,9-12H2,(H,23,28)(H,25,27)
InChIKeySZOGANOWGHZNBP-UHFFFAOYSA-N
XLogP1.12
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide?
The IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide (CID 167882891) is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide.
What is the SMILES notation for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide?
The canonical SMILES for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide is O=C1CC2(CNC2)C(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)N1.
What is the InChIKey of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide?
The InChIKey is SZOGANOWGHZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-18-9-21(11-22-12-21)19(25-18)20(28)23-10-14-5-7-15(8-6-14)26-13-24-16-3-1-2-4-17(16)26/h1-8,13,19,22H,9-12H2,(H,23,28)(H,25,27).
What are the key properties of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide?
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide is sourced from PubChem (CID 167882891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).