4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine

C15H20ClN3O — CID 66235372

IUPAC4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc2cc(Cl)ccc2n1C(C)C
InChIInChI=1S/C15H20ClN3O/c1-9(2)19-14-5-4-10(16)6-12(14)18-15(19)11-7-20-8-13(11)17-3/h4-6,9,11,13,17H,7-8H2,1-3H3
InChIKeyUQOIUYLUSCMKCG-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.97
Rot. Bonds3

About 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine

4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine (PubChem CID 66235372) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine
PubChem CID66235372
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc2cc(Cl)ccc2n1C(C)C
InChIInChI=1S/C15H20ClN3O/c1-9(2)19-14-5-4-10(16)6-12(14)18-15(19)11-7-20-8-13(11)17-3/h4-6,9,11,13,17H,7-8H2,1-3H3
InChIKeyUQOIUYLUSCMKCG-UHFFFAOYSA-N
XLogP2.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.97
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-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine?
The IUPAC name of 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine (CID 66235372) is 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine.
What is the SMILES notation for 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine?
The canonical SMILES for 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine is CNC1COCC1c1nc2cc(Cl)ccc2n1C(C)C.
What is the InChIKey of 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine?
The InChIKey is UQOIUYLUSCMKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-9(2)19-14-5-4-10(16)6-12(14)18-15(19)11-7-20-8-13(11)17-3/h4-6,9,11,13,17H,7-8H2,1-3H3.
What are the key properties of 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine?
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine has a molecular weight of 293.80 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine is sourced from PubChem (CID 66235372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).