1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one

C14H18N2O — CID 12706858

IUPAC1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(CCCC)c2ccccc21
InChIInChI=1S/C14H18N2O/c1-4-5-10-15-12-8-6-7-9-13(12)16(11(2)3)14(15)17/h6-9H,2,4-5,10H2,1,3H3
InChIKeyNAWBKYAIJZFZDZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.09
Rot. Bonds4

About 1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one

1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 12706858) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID12706858
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(CCCC)c2ccccc21
InChIInChI=1S/C14H18N2O/c1-4-5-10-15-12-8-6-7-9-13(12)16(11(2)3)14(15)17/h6-9H,2,4-5,10H2,1,3H3
InChIKeyNAWBKYAIJZFZDZ-UHFFFAOYSA-N
XLogP3.09
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one (CID 12706858) is 1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(CCCC)c2ccccc21.
What is the InChIKey of 1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is NAWBKYAIJZFZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-5-10-15-12-8-6-7-9-13(12)16(11(2)3)14(15)17/h6-9H,2,4-5,10H2,1,3H3.
What are the key properties of 1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one?
1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 230.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 12706858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).