4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine

C14H18ClN3O — CID 115292258

IUPAC4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine
SMILESCCn1c(C2(N)CCOCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3O/c1-2-18-12-4-3-10(15)9-11(12)17-13(18)14(16)5-7-19-8-6-14/h3-4,9H,2,5-8,16H2,1H3
InChIKeyIIWLYGOOQKZMTE-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.67
Rot. Bonds2

About 4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine

4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine (PubChem CID 115292258) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine
PubChem CID115292258
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine
SMILESCCn1c(C2(N)CCOCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3O/c1-2-18-12-4-3-10(15)9-11(12)17-13(18)14(16)5-7-19-8-6-14/h3-4,9H,2,5-8,16H2,1H3
InChIKeyIIWLYGOOQKZMTE-UHFFFAOYSA-N
XLogP2.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine?
The IUPAC name of 4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine (CID 115292258) is 4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine.
What is the SMILES notation for 4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine?
The canonical SMILES for 4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine is CCn1c(C2(N)CCOCC2)nc2cc(Cl)ccc21.
What is the InChIKey of 4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine?
The InChIKey is IIWLYGOOQKZMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-2-18-12-4-3-10(15)9-11(12)17-13(18)14(16)5-7-19-8-6-14/h3-4,9H,2,5-8,16H2,1H3.
What are the key properties of 4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine?
4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine has a molecular weight of 279.77 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-ethylbenzimidazol-2-yl)oxan-4-amine is sourced from PubChem (CID 115292258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).