2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole

C19H20N2O — CID 91340289

IUPAC2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole
SMILESc1ccc2[nH]c(Oc3ccc(CCCC4CC4)cc3)nc2c1
InChIInChI=1S/C19H20N2O/c1-2-7-18-17(6-1)20-19(21-18)22-16-12-10-15(11-13-16)5-3-4-14-8-9-14/h1-2,6-7,10-14H,3-5,8-9H2,(H,20,21)
InChIKeyXRNIIARWIPRJAY-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.09
Rot. Bonds6

About 2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole

2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole (PubChem CID 91340289) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole
PubChem CID91340289
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole
SMILESc1ccc2[nH]c(Oc3ccc(CCCC4CC4)cc3)nc2c1
InChIInChI=1S/C19H20N2O/c1-2-7-18-17(6-1)20-19(21-18)22-16-12-10-15(11-13-16)5-3-4-14-8-9-14/h1-2,6-7,10-14H,3-5,8-9H2,(H,20,21)
InChIKeyXRNIIARWIPRJAY-UHFFFAOYSA-N
XLogP5.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole?
The IUPAC name of 2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole (CID 91340289) is 2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole?
The canonical SMILES for 2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole is c1ccc2[nH]c(Oc3ccc(CCCC4CC4)cc3)nc2c1.
What is the InChIKey of 2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole?
The InChIKey is XRNIIARWIPRJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-7-18-17(6-1)20-19(21-18)22-16-12-10-15(11-13-16)5-3-4-14-8-9-14/h1-2,6-7,10-14H,3-5,8-9H2,(H,20,21).
What are the key properties of 2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole?
2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole has a molecular weight of 292.38 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropylpropyl)phenoxy]-1H-benzimidazole is sourced from PubChem (CID 91340289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).