3-(cyclopropylmethyl)-1H-benzimidazol-2-one

C11H12N2O — CID 57436030

IUPAC3-(cyclopropylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CC1CC1
InChIInChI=1S/C11H12N2O/c14-11-12-9-3-1-2-4-10(9)13(11)7-8-5-6-8/h1-4,8H,5-7H2,(H,12,14)
InChIKeyHSBAVFYEMVWEKG-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.74
Rot. Bonds2

About 3-(cyclopropylmethyl)-1H-benzimidazol-2-one

3-(cyclopropylmethyl)-1H-benzimidazol-2-one (PubChem CID 57436030) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1H-benzimidazol-2-one
PubChem CID57436030
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(cyclopropylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CC1CC1
InChIInChI=1S/C11H12N2O/c14-11-12-9-3-1-2-4-10(9)13(11)7-8-5-6-8/h1-4,8H,5-7H2,(H,12,14)
InChIKeyHSBAVFYEMVWEKG-UHFFFAOYSA-N
XLogP1.74
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(cyclopropylmethyl)-1H-benzimidazol-2-one (CID 57436030) is 3-(cyclopropylmethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(cyclopropylmethyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-1H-benzimidazol-2-one?
The InChIKey is HSBAVFYEMVWEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-12-9-3-1-2-4-10(9)13(11)7-8-5-6-8/h1-4,8H,5-7H2,(H,12,14).
What are the key properties of 3-(cyclopropylmethyl)-1H-benzimidazol-2-one?
3-(cyclopropylmethyl)-1H-benzimidazol-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 57436030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).