2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

C25H28ClN5O3 — CID 110076472

IUPAC2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCn1c(CNC(=O)CN2CCCC3(CC2)CN(c2ccc(Cl)cc2)C(=O)O3)nc2ccccc21
InChIInChI=1S/C25H28ClN5O3/c1-29-21-6-3-2-5-20(21)28-22(29)15-27-23(32)16-30-13-4-11-25(12-14-30)17-31(24(33)34-25)19-9-7-18(26)8-10-19/h2-3,5-10H,4,11-17H2,1H3,(H,27,32)
InChIKeyZNZGCTCDEAKVGN-UHFFFAOYSA-N
MW481.98 g/mol
LogP3.72
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 110076472) has the molecular formula C25H28ClN5O3 and a molecular weight of 481.98 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
PubChem CID110076472
Molecular FormulaC25H28ClN5O3
Molecular Weight481.98 g/mol
Exact Mass481.19
IUPAC Name2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCn1c(CNC(=O)CN2CCCC3(CC2)CN(c2ccc(Cl)cc2)C(=O)O3)nc2ccccc21
InChIInChI=1S/C25H28ClN5O3/c1-29-21-6-3-2-5-20(21)28-22(29)15-27-23(32)16-30-13-4-11-25(12-14-30)17-31(24(33)34-25)19-9-7-18(26)8-10-19/h2-3,5-10H,4,11-17H2,1H3,(H,27,32)
InChIKeyZNZGCTCDEAKVGN-UHFFFAOYSA-N
XLogP3.72
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3,4-dichlorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 132780391
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 55756919
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 134012153
1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55583303
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 77081858
(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45226307
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 25372152
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 40939662
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
CID 166226192
2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 77094843
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 75465953

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (CID 110076472) is 2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is Cn1c(CNC(=O)CN2CCCC3(CC2)CN(c2ccc(Cl)cc2)C(=O)O3)nc2ccccc21.
What is the InChIKey of 2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is ZNZGCTCDEAKVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3/c1-29-21-6-3-2-5-20(21)28-22(29)15-27-23(32)16-30-13-4-11-25(12-14-30)17-31(24(33)34-25)19-9-7-18(26)8-10-19/h2-3,5-10H,4,11-17H2,1H3,(H,27,32).
What are the key properties of 2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 481.98 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110076472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).