1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one

C23H24N4O2 — CID 175665420

IUPAC1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILES[2H]C([2H])(n1c(=O)n(C(=C)C)c2ccccc21)C([2H])([2H])C([2H])([2H])n1c(=O)n(C(=C)C)c2ccccc21
InChIInChI=1S/C23H24N4O2/c1-16(2)26-20-12-7-5-10-18(20)24(22(26)28)14-9-15-25-19-11-6-8-13-21(19)27(17(3)4)23(25)29/h5-8,10-13H,1,3,9,14-15H2,2,4H3/i9D2,14D2,15D2
InChIKeyZHDWBCCMWMQTIB-DGZHFASESA-N
MW394.51 g/mol
LogP3.99
Rot. Bonds6

About 1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one

1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 175665420) has the molecular formula C23H24N4O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID175665420
Molecular FormulaC23H24N4O2
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILES[2H]C([2H])(n1c(=O)n(C(=C)C)c2ccccc21)C([2H])([2H])C([2H])([2H])n1c(=O)n(C(=C)C)c2ccccc21
InChIInChI=1S/C23H24N4O2/c1-16(2)26-20-12-7-5-10-18(20)24(22(26)28)14-9-15-25-19-11-6-8-13-21(19)27(17(3)4)23(25)29/h5-8,10-13H,1,3,9,14-15H2,2,4H3/i9D2,14D2,15D2
InChIKeyZHDWBCCMWMQTIB-DGZHFASESA-N
XLogP3.99
TPSA53.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-Ebio
CID 82320
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 231553
2-Imidazolidinone, 1,3-diphenyl-
CID 975958
Bimu 1
CID 9929033
1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
Itasetron
CID 6918106
1-[4-(4-phenylpiperazin-1-yl)butyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369455
1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369457
3-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxobenzimidazole-1-carboxamide
CID 130946
3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 131725

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one (CID 175665420) is 1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one is [2H]C([2H])(n1c(=O)n(C(=C)C)c2ccccc21)C([2H])([2H])C([2H])([2H])n1c(=O)n(C(=C)C)c2ccccc21.
What is the InChIKey of 1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is ZHDWBCCMWMQTIB-DGZHFASESA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(2)26-20-12-7-5-10-18(20)24(22(26)28)14-9-15-25-19-11-6-8-13-21(19)27(17(3)4)23(25)29/h5-8,10-13H,1,3,9,14-15H2,2,4H3/i9D2,14D2,15D2.
What are the key properties of 1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 394.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 175665420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).