7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole

C15H19ClN2O2 — CID 63770797

IUPAC7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole
SMILESCCOC(OCC)c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C15H19ClN2O2/c1-3-19-15(20-4-2)14-17-12-7-5-6-11(16)13(12)18(14)10-8-9-10/h5-7,10,15H,3-4,8-9H2,1-2H3
InChIKeyLSRVGTYQKLTTNI-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.10
Rot. Bonds6

About 7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole

7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole (PubChem CID 63770797) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole
PubChem CID63770797
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole
SMILESCCOC(OCC)c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C15H19ClN2O2/c1-3-19-15(20-4-2)14-17-12-7-5-6-11(16)13(12)18(14)10-8-9-10/h5-7,10,15H,3-4,8-9H2,1-2H3
InChIKeyLSRVGTYQKLTTNI-UHFFFAOYSA-N
XLogP4.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole?
The IUPAC name of 7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole (CID 63770797) is 7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole.
What is the SMILES notation for 7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole?
The canonical SMILES for 7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole is CCOC(OCC)c1nc2cccc(Cl)c2n1C1CC1.
What is the InChIKey of 7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole?
The InChIKey is LSRVGTYQKLTTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-19-15(20-4-2)14-17-12-7-5-6-11(16)13(12)18(14)10-8-9-10/h5-7,10,15H,3-4,8-9H2,1-2H3.
What are the key properties of 7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole?
7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole has a molecular weight of 294.78 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopropyl-2-(diethoxymethyl)benzimidazole is sourced from PubChem (CID 63770797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).