3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine

C18H19ClN4O2 — CID 118859145

IUPAC3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine
SMILESNc1nc2ccc(NC3COC3)cc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O2/c19-12-1-4-15(5-2-12)25-8-7-23-17-9-13(21-14-10-24-11-14)3-6-16(17)22-18(23)20/h1-6,9,14,21H,7-8,10-11H2,(H2,20,22)
InChIKeyLLFQUDPXBKLETR-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.16
Rot. Bonds6

About 3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine

3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine (PubChem CID 118859145) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine.

Molecular Properties

Compound Name3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine
PubChem CID118859145
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine
SMILESNc1nc2ccc(NC3COC3)cc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O2/c19-12-1-4-15(5-2-12)25-8-7-23-17-9-13(21-14-10-24-11-14)3-6-16(17)22-18(23)20/h1-6,9,14,21H,7-8,10-11H2,(H2,20,22)
InChIKeyLLFQUDPXBKLETR-UHFFFAOYSA-N
XLogP3.16
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 115470592
5-N-tert-butyl-3-[2-[4-(trifluoromethoxy)phenoxy]ethyl]benzimidazole-2,5-diamine
CID 118859262
6-fluoro-1-(2-phenoxyethyl)benzimidazol-2-amine
CID 62376847
2-N-[[4-(6-chloroisoquinolin-1-yl)oxyphenyl]methyl]-3-methyl-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine
CID 118858498
2-N-[[4-(4-chloroisoquinolin-1-yl)oxyphenyl]methyl]-3-methyl-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine
CID 118859369
1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine
CID 71137977
1-[2-(4-chlorophenoxy)ethyl]-2-N,2-N-dimethylbenzimidazole-2,5-diamine
CID 118858593
6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406239
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
CID 63828806
3-methyl-5-N-(oxetan-3-yl)-2-N-[[4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]phenyl]methyl]benzimidazole-2,5-diamine
CID 118859184
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine?
The IUPAC name of 3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine (CID 118859145) is 3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine.
What is the SMILES notation for 3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine?
The canonical SMILES for 3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine is Nc1nc2ccc(NC3COC3)cc2n1CCOc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine?
The InChIKey is LLFQUDPXBKLETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-12-1-4-15(5-2-12)25-8-7-23-17-9-13(21-14-10-24-11-14)3-6-16(17)22-18(23)20/h1-6,9,14,21H,7-8,10-11H2,(H2,20,22).
What are the key properties of 3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine?
3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine has a molecular weight of 358.83 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenoxy)ethyl]-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine is sourced from PubChem (CID 118859145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).