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

C21H20ClN5O2 — CID 167962847

IUPACN-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide
SMILESO=C1CC2(CNC2)C(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)N1
InChIInChI=1S/C21H20ClN5O2/c22-15-7-14(27-12-25-16-3-1-2-4-17(16)27)6-5-13(15)9-24-20(29)19-21(10-23-11-21)8-18(28)26-19/h1-7,12,19,23H,8-11H2,(H,24,29)(H,26,28)
InChIKeyOZZGJQDMYNJYMS-UHFFFAOYSA-N
MW409.88 g/mol
LogP1.77
Rot. Bonds4

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

N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide (PubChem CID 167962847) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide
PubChem CID167962847
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC NameN-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide
SMILESO=C1CC2(CNC2)C(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)N1
InChIInChI=1S/C21H20ClN5O2/c22-15-7-14(27-12-25-16-3-1-2-4-17(16)27)6-5-13(15)9-24-20(29)19-21(10-23-11-21)8-18(28)26-19/h1-7,12,19,23H,8-11H2,(H,24,29)(H,26,28)
InChIKeyOZZGJQDMYNJYMS-UHFFFAOYSA-N
XLogP1.77
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(benzimidazol-1-yl)phenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide
CID 167882891
N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-6-azaspiro[3.5]nonane-8-carboxamide
CID 166401593
1-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-3-quinolin-3-ylurea
CID 155968125
N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-2-[4-(5-chloro-2-pyridinyl)triazol-1-yl]-4-methylbenzamide
CID 167828284
4-[[4-(benzimidazol-1-yl)phenyl]methylamino]-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 167939681
4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120948973
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea
CID 169434130
(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 132530671
N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 134011915
4-(benzimidazol-1-yl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 25348109
4-(benzimidazol-1-yl)-N-cyclopentylbenzamide
CID 22110686
(1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 41491419

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide?
The IUPAC name of N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide (CID 167962847) is N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide.
What is the SMILES notation for N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide?
The canonical SMILES for N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide is O=C1CC2(CNC2)C(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)N1.
What is the InChIKey of N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide?
The InChIKey is OZZGJQDMYNJYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c22-15-7-14(27-12-25-16-3-1-2-4-17(16)27)6-5-13(15)9-24-20(29)19-21(10-23-11-21)8-18(28)26-19/h1-7,12,19,23H,8-11H2,(H,24,29)(H,26,28).
What are the key properties of N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide?
N-[[4-(benzimidazol-1-yl)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide has a molecular weight of 409.88 g/mol, XLogP of 1.77, 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)-2-chlorophenyl]methyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxamide is sourced from PubChem (CID 167962847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).