ethane;5-methyl-1,3-dihydrobenzimidazol-2-one

C10H14N2O — CID 90978639

IUPACethane;5-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCC.Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C8H8N2O.C2H6/c1-5-2-3-6-7(4-5)10-8(11)9-6;1-2/h2-4H,1H3,(H2,9,10,11);1-2H3
InChIKeyMCQWQLFFPVWOEZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.19
Rot. Bonds

About ethane;5-methyl-1,3-dihydrobenzimidazol-2-one

ethane;5-methyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 90978639) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is ethane;5-methyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Nameethane;5-methyl-1,3-dihydrobenzimidazol-2-one
PubChem CID90978639
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Nameethane;5-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCC.Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C8H8N2O.C2H6/c1-5-2-3-6-7(4-5)10-8(11)9-6;1-2/h2-4H,1H3,(H2,9,10,11);1-2H3
InChIKeyMCQWQLFFPVWOEZ-UHFFFAOYSA-N
XLogP2.19
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen
CID 145445057
5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656499
1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 157345217
5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-6-nitro-1,3-dihydrobenzimidazol-2-one
CID 158575172
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741
5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186829
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
5-[chloro-(3-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61086586
5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483588
5-[(2-hydroxy-4-methylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4516447
ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 144951341
2,7-dimethyl-10H-acridin-9-one
CID 13293445

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of ethane;5-methyl-1,3-dihydrobenzimidazol-2-one (CID 90978639) is ethane;5-methyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for ethane;5-methyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for ethane;5-methyl-1,3-dihydrobenzimidazol-2-one is CC.Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of ethane;5-methyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MCQWQLFFPVWOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C2H6/c1-5-2-3-6-7(4-5)10-8(11)9-6;1-2/h2-4H,1H3,(H2,9,10,11);1-2H3.
What are the key properties of ethane;5-methyl-1,3-dihydrobenzimidazol-2-one?
ethane;5-methyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 90978639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).