3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine

C14H18ClN3O — CID 64889974

IUPAC3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine
SMILESCCCn1c(C2(N)CCOC2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3O/c1-2-6-18-12-4-3-10(15)8-11(12)17-13(18)14(16)5-7-19-9-14/h3-4,8H,2,5-7,9,16H2,1H3
InChIKeyJBOBWSLSDPYGPI-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.67
Rot. Bonds3

About 3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine

3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine (PubChem CID 64889974) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine
PubChem CID64889974
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine
SMILESCCCn1c(C2(N)CCOC2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3O/c1-2-6-18-12-4-3-10(15)8-11(12)17-13(18)14(16)5-7-19-9-14/h3-4,8H,2,5-7,9,16H2,1H3
InChIKeyJBOBWSLSDPYGPI-UHFFFAOYSA-N
XLogP2.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine?
The IUPAC name of 3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine (CID 64889974) is 3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for 3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for 3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine is CCCn1c(C2(N)CCOC2)nc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine?
The InChIKey is JBOBWSLSDPYGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-2-6-18-12-4-3-10(15)8-11(12)17-13(18)14(16)5-7-19-9-14/h3-4,8H,2,5-7,9,16H2,1H3.
What are the key properties of 3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine?
3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine has a molecular weight of 279.77 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-propylbenzimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 64889974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).