1-butyl-3-methoxybenzimidazol-2-one

C12H16N2O2 — CID 162373122

IUPAC1-butyl-3-methoxybenzimidazol-2-one
SMILESCCCCn1c(=O)n(OC)c2ccccc21
InChIInChI=1S/C12H16N2O2/c1-3-4-9-13-10-7-5-6-8-11(10)14(16-2)12(13)15/h5-8H,3-4,9H2,1-2H3
InChIKeyGFDIIVZWJFVPME-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.66
Rot. Bonds4

About 1-butyl-3-methoxybenzimidazol-2-one

1-butyl-3-methoxybenzimidazol-2-one (PubChem CID 162373122) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-butyl-3-methoxybenzimidazol-2-one.

Molecular Properties

Compound Name1-butyl-3-methoxybenzimidazol-2-one
PubChem CID162373122
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-butyl-3-methoxybenzimidazol-2-one
SMILESCCCCn1c(=O)n(OC)c2ccccc21
InChIInChI=1S/C12H16N2O2/c1-3-4-9-13-10-7-5-6-8-11(10)14(16-2)12(13)15/h5-8H,3-4,9H2,1-2H3
InChIKeyGFDIIVZWJFVPME-UHFFFAOYSA-N
XLogP1.66
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-decyl-3-methylbenzimidazol-2-one
CID 116621203
1-methyl-3-nonylbenzimidazol-2-one
CID 116621127
1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one
CID 12706858
6-(3-butyl-2-oxobenzimidazol-1-yl)hexylcarbamic acid
CID 21273516
1-(5-oxohexyl)-3-propylbenzimidazol-2-one
CID 62024547
1-(4-oxohexyl)-3-propylbenzimidazol-2-one
CID 106801721
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-butyl-2-oxobenzimidazole-1-carboxamide
CID 57435971
2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide
CID 46786280
1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
CID 115576428
1-butyl-3-[5-[4-(4-hydroxyphenyl)piperazin-1-yl]pentyl]benzimidazol-2-one
CID 122367612
9-butyl-3-methoxycarbazole
CID 132503458
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methoxybenzimidazol-2-one?
The IUPAC name of 1-butyl-3-methoxybenzimidazol-2-one (CID 162373122) is 1-butyl-3-methoxybenzimidazol-2-one.
What is the SMILES notation for 1-butyl-3-methoxybenzimidazol-2-one?
The canonical SMILES for 1-butyl-3-methoxybenzimidazol-2-one is CCCCn1c(=O)n(OC)c2ccccc21.
What is the InChIKey of 1-butyl-3-methoxybenzimidazol-2-one?
The InChIKey is GFDIIVZWJFVPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-4-9-13-10-7-5-6-8-11(10)14(16-2)12(13)15/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 1-butyl-3-methoxybenzimidazol-2-one?
1-butyl-3-methoxybenzimidazol-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methoxybenzimidazol-2-one is sourced from PubChem (CID 162373122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).