benzimidazol-2-one;butane

C11H14N2O — CID 163443931

IUPACbenzimidazol-2-one;butane
SMILESCCCC.O=C1N=c2ccccc2=N1
InChIInChI=1S/C7H4N2O.C4H10/c10-7-8-5-3-1-2-4-6(5)9-7;1-3-4-2/h1-4H;3-4H2,1-2H3
InChIKeyBAWWXVFNSXXVJR-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.87
Rot. Bonds1

About benzimidazol-2-one;butane

benzimidazol-2-one;butane (PubChem CID 163443931) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is benzimidazol-2-one;butane.

Molecular Properties

Compound Namebenzimidazol-2-one;butane
PubChem CID163443931
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Namebenzimidazol-2-one;butane
SMILESCCCC.O=C1N=c2ccccc2=N1
InChIInChI=1S/C7H4N2O.C4H10/c10-7-8-5-3-1-2-4-6(5)9-7;1-3-4-2/h1-4H;3-4H2,1-2H3
InChIKeyBAWWXVFNSXXVJR-UHFFFAOYSA-N
XLogP1.87
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzimidazol-2-one
CID 162542
Fluorobenzimidazolone
CID 54006931
2,2-Dimethyl-2H-benzimidazole
CID 11435022
5-Methylbenzimidazol-2-one
CID 20064386
4-Methylbenzimidazolone
CID 20360222
Benzimid-azol-2-one hydrochloride
CID 20555078
5-Chlorobenzimidazolone
CID 21290242
Dimethylbenzimidazolone
CID 68557084
Propylbenzimidazolone
CID 69704668
Isopropenylbenzimidazolone
CID 70098456
5-Fluorobenzimidazol-2-one
CID 57348845
2-(Fluoromethyl)-2-methylbenzimidazole
CID 173118032

Frequently Asked Questions

What is the IUPAC name of benzimidazol-2-one;butane?
The IUPAC name of benzimidazol-2-one;butane (CID 163443931) is benzimidazol-2-one;butane.
What is the SMILES notation for benzimidazol-2-one;butane?
The canonical SMILES for benzimidazol-2-one;butane is CCCC.O=C1N=c2ccccc2=N1.
What is the InChIKey of benzimidazol-2-one;butane?
The InChIKey is BAWWXVFNSXXVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O.C4H10/c10-7-8-5-3-1-2-4-6(5)9-7;1-3-4-2/h1-4H;3-4H2,1-2H3.
What are the key properties of benzimidazol-2-one;butane?
benzimidazol-2-one;butane has a molecular weight of 190.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-2-one;butane is sourced from PubChem (CID 163443931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).