5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one

C14H18N2O2 — CID 62299746

IUPAC5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(O)CC3CC3)ccc21
InChIInChI=1S/C14H18N2O2/c1-15-11-6-5-10(13(17)7-9-3-4-9)8-12(11)16(2)14(15)18/h5-6,8-9,13,17H,3-4,7H2,1-2H3
InChIKeyAHBLMXGJKVHTDN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.71
Rot. Bonds3

About 5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one

5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 62299746) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one
PubChem CID62299746
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(O)CC3CC3)ccc21
InChIInChI=1S/C14H18N2O2/c1-15-11-6-5-10(13(17)7-9-3-4-9)8-12(11)16(2)14(15)18/h5-6,8-9,13,17H,3-4,7H2,1-2H3
InChIKeyAHBLMXGJKVHTDN-UHFFFAOYSA-N
XLogP1.71
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one (CID 62299746) is 5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(C(O)CC3CC3)ccc21.
What is the InChIKey of 5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is AHBLMXGJKVHTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-11-6-5-10(13(17)7-9-3-4-9)8-12(11)16(2)14(15)18/h5-6,8-9,13,17H,3-4,7H2,1-2H3.
What are the key properties of 5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one?
5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 62299746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).