6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole

C15H19ClN2O — CID 46308708

IUPAC6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole
SMILESCCOCCCn1c(C2CC2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H19ClN2O/c1-2-19-9-3-8-18-14-10-12(16)6-7-13(14)17-15(18)11-4-5-11/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeySKEZYUKKOKGXCB-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.99
Rot. Bonds6

About 6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole

6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole (PubChem CID 46308708) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole
PubChem CID46308708
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole
SMILESCCOCCCn1c(C2CC2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H19ClN2O/c1-2-19-9-3-8-18-14-10-12(16)6-7-13(14)17-15(18)11-4-5-11/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeySKEZYUKKOKGXCB-UHFFFAOYSA-N
XLogP3.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine
CID 46309665
6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
CID 46309125
3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308858
2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
CID 43140489
6-chloro-2-cyclopropyl-1-methylbenzimidazole
CID 46310330
2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol
CID 46308180
6-chloro-1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)benzimidazole
CID 46308719
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
2-[6-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanamine
CID 46309314
2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309386
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole
CID 46309298

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole?
The IUPAC name of 6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole (CID 46308708) is 6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole?
The canonical SMILES for 6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole is CCOCCCn1c(C2CC2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole?
The InChIKey is SKEZYUKKOKGXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-2-19-9-3-8-18-14-10-12(16)6-7-13(14)17-15(18)11-4-5-11/h6-7,10-11H,2-5,8-9H2,1H3.
What are the key properties of 6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole?
6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole has a molecular weight of 278.78 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole is sourced from PubChem (CID 46308708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).