4-prop-1-en-2-ylbenzimidazol-2-one

C10H8N2O — CID 70098456

IUPAC4-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)c1cccc2c1=NC(=O)N=2
InChIInChI=1S/C10H8N2O/c1-6(2)7-4-3-5-8-9(7)12-10(13)11-8/h3-5H,1H2,2H3
InChIKeyYKDUHONPINRMQO-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.09
Rot. Bonds1

About 4-prop-1-en-2-ylbenzimidazol-2-one

4-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 70098456) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 4-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name4-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID70098456
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name4-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)c1cccc2c1=NC(=O)N=2
InChIInChI=1S/C10H8N2O/c1-6(2)7-4-3-5-8-9(7)12-10(13)11-8/h3-5H,1H2,2H3
InChIKeyYKDUHONPINRMQO-UHFFFAOYSA-N
XLogP1.09
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 4-prop-1-en-2-ylbenzimidazol-2-one (CID 70098456) is 4-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 4-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 4-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)c1cccc2c1=NC(=O)N=2.
What is the InChIKey of 4-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is YKDUHONPINRMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-6(2)7-4-3-5-8-9(7)12-10(13)11-8/h3-5H,1H2,2H3.
What are the key properties of 4-prop-1-en-2-ylbenzimidazol-2-one?
4-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 172.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 70098456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).