1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol

C14H16N2O — CID 136636180

IUPAC1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol
SMILESC=C(O)c1ccc(CC)c2nc(C3CC3)[nH]c12
InChIInChI=1S/C14H16N2O/c1-3-9-6-7-11(8(2)17)13-12(9)15-14(16-13)10-4-5-10/h6-7,10,17H,2-5H2,1H3,(H,15,16)
InChIKeyYUKQZWMWZHAPGI-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.53
Rot. Bonds3

About 1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol

1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol (PubChem CID 136636180) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol.

Molecular Properties

Compound Name1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol
PubChem CID136636180
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol
SMILESC=C(O)c1ccc(CC)c2nc(C3CC3)[nH]c12
InChIInChI=1S/C14H16N2O/c1-3-9-6-7-11(8(2)17)13-12(9)15-14(16-13)10-4-5-10/h6-7,10,17H,2-5H2,1H3,(H,15,16)
InChIKeyYUKQZWMWZHAPGI-UHFFFAOYSA-N
XLogP3.53
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol?
The IUPAC name of 1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol (CID 136636180) is 1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol.
What is the SMILES notation for 1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol?
The canonical SMILES for 1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol is C=C(O)c1ccc(CC)c2nc(C3CC3)[nH]c12.
What is the InChIKey of 1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol?
The InChIKey is YUKQZWMWZHAPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-9-6-7-11(8(2)17)13-12(9)15-14(16-13)10-4-5-10/h6-7,10,17H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol?
1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol has a molecular weight of 228.29 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-7-ethyl-3H-benzimidazol-4-yl)ethenol is sourced from PubChem (CID 136636180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).