3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one

C10H10N2O — CID 45078185

IUPAC3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one
SMILESC/C=C/n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C10H10N2O/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h2-7H,1H3,(H,11,13)/b7-2+
InChIKeyVOLQECHBUFFBPW-FARCUNLSSA-N
MW174.20 g/mol
LogP1.82
Rot. Bonds1

About 3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one

3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one (PubChem CID 45078185) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one
PubChem CID45078185
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one
SMILESC/C=C/n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C10H10N2O/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h2-7H,1H3,(H,11,13)/b7-2+
InChIKeyVOLQECHBUFFBPW-FARCUNLSSA-N
XLogP1.82
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(cyclopropylmethyl)-1H-benzimidazol-2-one
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2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 10584064
3-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-one
CID 755579
3-oxo-N-(2-oxo-3H-benzimidazol-1-yl)butanamide
CID 87289772
N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one (CID 45078185) is 3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one is C/C=C/n1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one?
The InChIKey is VOLQECHBUFFBPW-FARCUNLSSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h2-7H,1H3,(H,11,13)/b7-2+.
What are the key properties of 3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one?
3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 45078185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).