3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one

C10H12N2O — CID 70543552

IUPAC3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one
SMILESC=C(C)N1C(=O)NC2CC=CC=C21
InChIInChI=1S/C10H12N2O/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-4,6,8H,1,5H2,2H3,(H,11,13)
InChIKeyOUWAAKOKTFZVEP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.76
Rot. Bonds1

About 3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one

3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one (PubChem CID 70543552) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one
PubChem CID70543552
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one
SMILESC=C(C)N1C(=O)NC2CC=CC=C21
InChIInChI=1S/C10H12N2O/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-4,6,8H,1,5H2,2H3,(H,11,13)
InChIKeyOUWAAKOKTFZVEP-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one?
The IUPAC name of 3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one (CID 70543552) is 3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one?
The canonical SMILES for 3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one is C=C(C)N1C(=O)NC2CC=CC=C21.
What is the InChIKey of 3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one?
The InChIKey is OUWAAKOKTFZVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-4,6,8H,1,5H2,2H3,(H,11,13).
What are the key properties of 3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one?
3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one is sourced from PubChem (CID 70543552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).