1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone

C15H16N2O — CID 175668128

IUPAC1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone
SMILESCC(=O)C1(C2Nc3ccccc3N2)C=CC=CC1
InChIInChI=1S/C15H16N2O/c1-11(18)15(9-5-2-6-10-15)14-16-12-7-3-4-8-13(12)17-14/h2-9,14,16-17H,10H2,1H3
InChIKeyIRDRNFZHNRFXLF-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.94
Rot. Bonds2

About 1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone

1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone (PubChem CID 175668128) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone
PubChem CID175668128
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone
SMILESCC(=O)C1(C2Nc3ccccc3N2)C=CC=CC1
InChIInChI=1S/C15H16N2O/c1-11(18)15(9-5-2-6-10-15)14-16-12-7-3-4-8-13(12)17-14/h2-9,14,16-17H,10H2,1H3
InChIKeyIRDRNFZHNRFXLF-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone with MolForge

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Related Compounds

2-chloro-2,3-dihydro-1H-benzimidazole
CID 13223178
(1-acetylcyclohexa-2,4-dien-1-yl)boronic acid
CID 142702865
1-(1-benzhydrylcyclohexa-2,4-dien-1-yl)piperidine-3-carboxylic acid
CID 174371604
1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone
CID 15269713
3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 11171721
bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone
CID 67426947
(1R,8bS)-8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-1-carboxylic acid
CID 102283763
1-(9-methyl-10H-acridin-9-yl)ethanone
CID 162143762
5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
CID 175128214
2-(1-methoxycyclohexa-2,4-dien-1-yl)benzoic acid
CID 151314460
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone?
The IUPAC name of 1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone (CID 175668128) is 1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone is CC(=O)C1(C2Nc3ccccc3N2)C=CC=CC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone?
The InChIKey is IRDRNFZHNRFXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11(18)15(9-5-2-6-10-15)14-16-12-7-3-4-8-13(12)17-14/h2-9,14,16-17H,10H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone?
1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone has a molecular weight of 240.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone is sourced from PubChem (CID 175668128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).